A3918/0166679
TL;DR: A3918/0166679 (CAS 898056-86-5) is a chemical compound with molecular formula C26H19N5O3S and molecular weight 481.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[(4-phenyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid
Also Known As: A3918/0166679, 4-(2-((4-phenyl-5-(quinolin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid, 4-[[2-[(4-phenyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid, 4-[({[4-phenyl-5-(quinolin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid, 4-[(2-{[4-PHENYL-5-(2-QUINOLYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETYL)AMINO]BENZOIC ACID
| Molecular Formula | C26H19N5O3S |
|---|---|
| Molecular Weight | 481.12 g/mol |
| LogP | 4.9115 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 481.12085 |
| Heavy Atoms | 35 |
| Complexity | 1517.623 |
Chemical Identifiers
| CAS Number | 898056-86-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)O)C4=NC5=CC=CC=C5C=C4 |
Product Overview
A3918/0166679 (CAS 898056-86-5), with molecular formula C26H19N5O3S and molecular weight 481.12 g/mol. IUPAC: 4-[[2-[(4-phenyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of A3918/0166679
Property Insights of A3918/0166679
The XLogP value of 4.9115 indicates that A3918/0166679 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A3918/0166679. Following Lipinski's Rule of Five, A3918/0166679 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 A3918/0166679?
The CAS number of A3918/0166679 is 898056-86-5.
What is the molecular formula of A3918/0166679?
The molecular formula of A3918/0166679 is C26H19N5O3S.
What is the molecular weight of A3918/0166679?
The molecular weight of A3918/0166679 is 481.12 g/mol.
Where can I buy A3918/0166679?
You can request a quote for A3918/0166679 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3918/0166679?
Yes, KEHONG BIO provides custom synthesis services for A3918/0166679 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.