AN-919/40736396
TL;DR: AN-919/40736396 (CAS 442651-79-8) is a chemical compound with molecular formula C22H21N5O3S3 and molecular weight 499.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
Also Known As: AN-919/40736396, 2-({3-CYANO-5H,6H,7H,8H,9H-CYCLOHEPTA[B]PYRIDIN-2-YL}SULFANYL)-N-{4-[(1,3-THIAZOL-2-YL)SULFAMOYL]PHENYL}ACETAMIDE, 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide, 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}acetamide
| Molecular Formula | C22H21N5O3S3 |
|---|---|
| Molecular Weight | 499.08 g/mol |
| LogP | 4.21028 |
| Topological Polar Surface Area | 124.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 499.08066 |
| Heavy Atoms | 33 |
| Complexity | 1284.0558 |
Chemical Identifiers
| CAS Number | 442651-79-8 |
|---|---|
| SMILES | C1CCC2=CC(=C(N=C2CC1)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4)C#N |
Product Overview
AN-919/40736396 (CAS 442651-79-8), with molecular formula C22H21N5O3S3 and molecular weight 499.08 g/mol. IUPAC: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.
Chemical Property Profile of AN-919/40736396
Property Insights of AN-919/40736396
The XLogP value of 4.21028 indicates that AN-919/40736396 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.84 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-919/40736396. Following Lipinski's Rule of Five, AN-919/40736396 has 2 hydrogen bond donor(s) and 8 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-919/40736396?
The CAS number of AN-919/40736396 is 442651-79-8.
What is the molecular formula of AN-919/40736396?
The molecular formula of AN-919/40736396 is C22H21N5O3S3.
What is the molecular weight of AN-919/40736396?
The molecular weight of AN-919/40736396 is 499.08 g/mol.
Where can I buy AN-919/40736396?
You can request a quote for AN-919/40736396 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-919/40736396?
Yes, KEHONG BIO provides custom synthesis services for AN-919/40736396 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.