A3877/0164762
TL;DR: A3877/0164762 (CAS 728035-10-7) is a chemical compound with molecular formula C21H17N7O2S3 and molecular weight 495.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenesulfonamide
Also Known As: A3877/0164762, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(3-mercapto-5-(quinolin-2-yl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenesulfonamide, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[3-(quinolin-2-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzenesulfonamide, N~1~-(5-ETHYL-1,3,4-THIADIAZOL-2-YL)-4-[3-(2-QUINOLYL)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL]-1-BENZENESULFONAMIDE
| Molecular Formula | C21H17N7O2S3 |
|---|---|
| Molecular Weight | 495.06 g/mol |
| LogP | 4.35979 |
| Topological Polar Surface Area | 118.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 495.06058 |
| Heavy Atoms | 33 |
| Complexity | 1619.7046 |
Chemical Identifiers
| CAS Number | 728035-10-7 |
|---|---|
| SMILES | CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=NNC3=S)C4=NC5=CC=CC=C5C=C4 |
Product Overview
A3877/0164762 (CAS 728035-10-7), with molecular formula C21H17N7O2S3 and molecular weight 495.06 g/mol. IUPAC: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenesulfonamide.
Chemical Property Profile of A3877/0164762
Property Insights of A3877/0164762
The XLogP value of 4.35979 indicates that A3877/0164762 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.45 Ų falls within the moderate polarity range, balancing permeability and solubility for A3877/0164762. Following Lipinski's Rule of Five, A3877/0164762 has 2 hydrogen bond donor(s) and 8 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 A3877/0164762?
The CAS number of A3877/0164762 is 728035-10-7.
What is the molecular formula of A3877/0164762?
The molecular formula of A3877/0164762 is C21H17N7O2S3.
What is the molecular weight of A3877/0164762?
The molecular weight of A3877/0164762 is 495.06 g/mol.
Where can I buy A3877/0164762?
You can request a quote for A3877/0164762 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3877/0164762?
Yes, KEHONG BIO provides custom synthesis services for A3877/0164762 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.