AN-329/40487272
TL;DR: AN-329/40487272 (CAS 315672-95-8) is a chemical compound with molecular formula C16H16N6O4S and molecular weight 388.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-2-cyano-2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]hydrazinylidene]acetate
Also Known As: AN-329/40487272, methyl cyano[(4-{[(4,6-dimethylpyrimidin-2-yl)amino]sulfonyl}phenyl)hydrazono]acetate, methyl (2Z)-2-cyano-2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]hydrazinylidene]acetate, methyl (2Z)-cyano[(4-{[(4,6-dimethylpyrimidin-2-yl)amino]sulfonyl}phenyl)hydrazono]acetate, methyl cyano[(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)hydrazono]acetate
| Molecular Formula | C16H16N6O4S |
|---|---|
| Molecular Weight | 388.10 g/mol |
| LogP | 1.35872 |
| Topological Polar Surface Area | 146.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.09537 |
| Heavy Atoms | 27 |
| Complexity | 1005.6163 |
Chemical Identifiers
| CAS Number | 315672-95-8 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N/N=C(/C#N)\C(=O)OC)C |
Product Overview
AN-329/40487272 (CAS 315672-95-8), with molecular formula C16H16N6O4S and molecular weight 388.10 g/mol. IUPAC: methyl (2Z)-2-cyano-2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]hydrazinylidene]acetate.
Chemical Property Profile of AN-329/40487272
Property Insights of AN-329/40487272
The XLogP value of 1.35872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-329/40487272. The TPSA of 146.43 Ų indicates high polarity, suggesting AN-329/40487272 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AN-329/40487272 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-329/40487272?
The CAS number of AN-329/40487272 is 315672-95-8.
What is the molecular formula of AN-329/40487272?
The molecular formula of AN-329/40487272 is C16H16N6O4S.
What is the molecular weight of AN-329/40487272?
The molecular weight of AN-329/40487272 is 388.10 g/mol.
Where can I buy AN-329/40487272?
You can request a quote for AN-329/40487272 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/40487272?
Yes, KEHONG BIO provides custom synthesis services for AN-329/40487272 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.