A3564/0151190
TL;DR: A3564/0151190 (CAS 696604-48-5) is a chemical compound with molecular formula C17H16N4O2S and molecular weight 340.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-3-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)propanoic acid
Also Known As: A3564/0151190, 3-(3-mercapto-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-yl)-3-(p-tolyl)propanoic acid, 3-(4-methylphenyl)-3-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]propanoic acid, 3-(4-methylphenyl)-3-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)propanoic acid, 3-(4-METHYLPHENYL)-3-[3-(4-PYRIDYL)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL]PROPANOIC ACID
| Molecular Formula | C17H16N4O2S |
|---|---|
| Molecular Weight | 340.10 g/mol |
| LogP | 3.37521 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.0994 |
| Heavy Atoms | 24 |
| Complexity | 900.3449 |
Chemical Identifiers
| CAS Number | 696604-48-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(CC(=O)O)N2C(=NNC2=S)C3=CC=NC=C3 |
Product Overview
A3564/0151190 (CAS 696604-48-5), with molecular formula C17H16N4O2S and molecular weight 340.10 g/mol. IUPAC: 3-(4-methylphenyl)-3-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)propanoic acid.
Chemical Property Profile of A3564/0151190
Property Insights of A3564/0151190
The XLogP value of 3.37521 indicates that A3564/0151190 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for A3564/0151190. Following Lipinski's Rule of Five, A3564/0151190 has 2 hydrogen bond donor(s) and 4 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 A3564/0151190?
The CAS number of A3564/0151190 is 696604-48-5.
What is the molecular formula of A3564/0151190?
The molecular formula of A3564/0151190 is C17H16N4O2S.
What is the molecular weight of A3564/0151190?
The molecular weight of A3564/0151190 is 340.10 g/mol.
Where can I buy A3564/0151190?
You can request a quote for A3564/0151190 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3564/0151190?
Yes, KEHONG BIO provides custom synthesis services for A3564/0151190 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.