A3877/0164784
TL;DR: A3877/0164784 (CAS 728035-31-2) is a chemical compound with molecular formula C16H16N4O2S2 and molecular weight 360.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanyl-2-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanoic acid
Also Known As: A3877/0164784, 4-(methylsulfanyl)-2-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]butanoic acid, 4-methylsulfanyl-2-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanoic acid, 2-(3-mercapto-5-(quinolin-2-yl)-4H-1,2,4-triazol-4-yl)-4-(methylthio)butanoic acid, 4-(methylsulfanyl)-2-[3-(quinolin-2-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]butanoic acid
| Molecular Formula | C16H16N4O2S2 |
|---|---|
| Molecular Weight | 360.07 g/mol |
| LogP | 3.53469 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.07147 |
| Heavy Atoms | 24 |
| Complexity | 934.97217 |
Chemical Identifiers
| CAS Number | 728035-31-2 |
|---|---|
| SMILES | CSCCC(C(=O)O)N1C(=NNC1=S)C2=NC3=CC=CC=C3C=C2 |
Product Overview
A3877/0164784 (CAS 728035-31-2), with molecular formula C16H16N4O2S2 and molecular weight 360.07 g/mol. IUPAC: 4-methylsulfanyl-2-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanoic acid.
Chemical Property Profile of A3877/0164784
Property Insights of A3877/0164784
The XLogP value of 3.53469 indicates that A3877/0164784 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 A3877/0164784. Following Lipinski's Rule of Five, A3877/0164784 has 2 hydrogen bond donor(s) and 5 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 A3877/0164784?
The CAS number of A3877/0164784 is 728035-31-2.
What is the molecular formula of A3877/0164784?
The molecular formula of A3877/0164784 is C16H16N4O2S2.
What is the molecular weight of A3877/0164784?
The molecular weight of A3877/0164784 is 360.07 g/mol.
Where can I buy A3877/0164784?
You can request a quote for A3877/0164784 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3877/0164784?
Yes, KEHONG BIO provides custom synthesis services for A3877/0164784 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.