| CAS Number | 1715032-87-3 |
| Catalog Number | AG01EN44(AGN-PC-3H45J8) |
| Chemical Name | tert-Butyl 4-(3-amino-6-((1S,3S,4S)-4-((tert-butyldimethylsilyl)oxy)-3-fluorocyclohexyl)pyrazin-2-yl)-2-fluorobenzoate |
| IUPAC Name | tert-butyl 4-[3-amino-6-[(1S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclohexyl]pyrazin-2-yl]-2-fluorobenzoate |
| InChI | InChI=1S/C27H39F2N3O3Si/c1-26(2,3)34-25(33)18-11-9-17(14-19(18)28)23-24(30)31-15-21(32-23)16-10-12-22(20(29)13-16)35-36(7,8)27(4,5)6/h9,11,14-16,20,22H,10,12-13H2,1-8H3,(H2,30,31)/t16-,20-,22-/m0/s1 |
| InChI Key | JNRFXJPLJBKLSF-BUKVSMQUSA-N |
| MDL Number | MFCD30609554 |
| Molecular Formula | C27H39F2N3O3Si |
| Molecular Weight | 519.6992 |
| SMILES | O=C(OC(C)(C)C)C1=CC=C(C2=NC([C@@H]3C[C@H](F)[C@@H](O[Si](C)(C(C)(C)C)C)CC3)=CN=C2N)C=C1F |
| Synonyms | tert-Butyl 4-(3-amino-6-((1S,3S,4S)-4-((tert-butyldimethylsilyl)oxy)-3-fluorocyclohexyl)pyrazin-2-yl)-2-fluorobenzoate,
1715032-87-3,
JNRFXJPLJBKLSF-BUKVSMQUSA-N,
KS-00000U0C,
ZINC584641398,
DS-19681,
tert-butyl 4-(3-amino-6-((1 S,3S,4S)-4-((tert-butyldimethylsilyl)oxy)-3-fluorocyclohexyl)pyrazin-2-yl)-2-fluorobenzoate,
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| Complexity | 758 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 519.272875g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 519.7g/mol |
| Monoisotopic Mass | 519.272875g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 87.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number