A3917/0166638
TL;DR: A3917/0166638 (CAS 898056-83-2) is a chemical compound with molecular formula C21H16N4O3S2 and molecular weight 436.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid
Also Known As: A3917/0166638, 3-(2-((4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid, 3-[[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid, 3-[({[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
| Molecular Formula | C21H16N4O3S2 |
|---|---|
| Molecular Weight | 436.07 g/mol |
| LogP | 4.4248 |
| Topological Polar Surface Area | 97.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.06638 |
| Heavy Atoms | 30 |
| Complexity | 1174.2068 |
Chemical Identifiers
| CAS Number | 898056-83-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC(=C3)C(=O)O)C4=CC=CS4 |
Product Overview
A3917/0166638 (CAS 898056-83-2), with molecular formula C21H16N4O3S2 and molecular weight 436.07 g/mol. IUPAC: 3-[[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of A3917/0166638
Property Insights of A3917/0166638
The XLogP value of 4.4248 indicates that A3917/0166638 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.11 Ų falls within the moderate polarity range, balancing permeability and solubility for A3917/0166638. Following Lipinski's Rule of Five, A3917/0166638 has 2 hydrogen bond donor(s) and 6 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 A3917/0166638?
The CAS number of A3917/0166638 is 898056-83-2.
What is the molecular formula of A3917/0166638?
The molecular formula of A3917/0166638 is C21H16N4O3S2.
What is the molecular weight of A3917/0166638?
The molecular weight of A3917/0166638 is 436.07 g/mol.
Where can I buy A3917/0166638?
You can request a quote for A3917/0166638 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3917/0166638?
Yes, KEHONG BIO provides custom synthesis services for A3917/0166638 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.