AN-988/37365058
TL;DR: AN-988/37365058 (CAS 6467-13-6) is a chemical compound with molecular formula C19H19N5O3S and molecular weight 397.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: AN-988/37365058, methyl 4-[[2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate, METHYL 4-(2-{[5-(4-AMINOPHENYL)-4-METHYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDO)BENZOATE, methyl 4-[({[5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
| Molecular Formula | C19H19N5O3S |
|---|---|
| Molecular Weight | 397.12 g/mol |
| LogP | 2.5817 |
| Topological Polar Surface Area | 112.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.12085 |
| Heavy Atoms | 28 |
| Complexity | 983.80865 |
Chemical Identifiers
| CAS Number | 6467-13-6 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC=C(C=C3)N |
Product Overview
AN-988/37365058 (CAS 6467-13-6), with molecular formula C19H19N5O3S and molecular weight 397.12 g/mol. IUPAC: methyl 4-[[2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of AN-988/37365058
Property Insights of AN-988/37365058
The XLogP value of 2.5817 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-988/37365058. The TPSA of 112.13 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-988/37365058. Following Lipinski's Rule of Five, AN-988/37365058 has 2 hydrogen bond donor(s) and 7 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-988/37365058?
The CAS number of AN-988/37365058 is 6467-13-6.
What is the molecular formula of AN-988/37365058?
The molecular formula of AN-988/37365058 is C19H19N5O3S.
What is the molecular weight of AN-988/37365058?
The molecular weight of AN-988/37365058 is 397.12 g/mol.
Where can I buy AN-988/37365058?
You can request a quote for AN-988/37365058 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/37365058?
Yes, KEHONG BIO provides custom synthesis services for AN-988/37365058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.