AG00ABPN

Name: Centrinone-B
Brand: Angene Chemical
SKU: AG00ABPN

1798871-31-4 | Centrinone-B

AG00ABPN

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CAS Number	1798871-31-4
Catalog Number	AG00ABPN
Chemical Name	Centrinone-B
IUPAC Name	2-[2-fluoro-4-[(2-fluoro-3-nitrophenyl)methylsulfonyl]phenyl]sulfanyl-5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyrimidin-4-amine
InChI	InChI=1S/C27H27F2N7O5S2/c1-16-13-22(34-33-16)30-25-24(41-2)26(35-11-4-3-5-12-35)32-27(31-25)42-21-10-9-18(14-19(21)28)43(39,40)15-17-7-6-8-20(23(17)29)36(37)38/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H2,30,31,32,33,34)
InChI Key	UPZNTUYHCRQOIQ-UHFFFAOYSA-N
MDL Number	MFCD29472297
Molecular Formula	C27H27F2N7O5S2
Molecular Weight	631.6740
SMILES	FC1=C(CS(=O)(=O)C2C=CC(SC3N=C(N4CCCCC4)C(OC)=C(NC4C=C(C)NN=4)N=3)=C(F)C=2)C=CC=C1[N+](=O)[O-]
Synonyms	centrinone-B, LCR-323, Centrinone-B, Centrinone B, 1798871-31-4, SCHEMBL18154657, LCR 323, AKOS027470259, ZINC263621869, CS-5374, HY-18683, 2-[[2-Fluoro-4-[[(2-fluoro-3-nitrophenyl)methyl]sulfonyl]phenyl]thio]-5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-piperidinyl)-4-pyrimidinamine,

Complexity	1030
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	631.148g/mol
Formal Charge	0
Heavy Atom Count	43
Hydrogen Bond Acceptor Count	13
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	631.674g/mol
Monoisotopic Mass	631.148g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	193A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.5

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited