A3918/0166678
TL;DR: A3918/0166678 (CAS 889948-65-6) is a chemical compound with molecular formula C23H16ClN5O2S and molecular weight 461.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-4-ylacetamide
Also Known As: A3918/0166678, 2-((4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(quinolin-4-yl)acetamide, 2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-4-ylacetamide, 2-{[4-(4-CHLOROPHENYL)-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N~1~-(4-QUINOLYL)ACETAMIDE, 2-{[4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(quinolin-4-yl)acetamide
| Molecular Formula | C23H16ClN5O2S |
|---|---|
| Molecular Weight | 461.07 g/mol |
| LogP | 5.4597 |
| Topological Polar Surface Area | 85.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.07132 |
| Heavy Atoms | 32 |
| Complexity | 1378.3309 |
Chemical Identifiers
| CAS Number | 889948-65-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=N2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)Cl)C5=CC=CO5 |
Product Overview
A3918/0166678 (CAS 889948-65-6), with molecular formula C23H16ClN5O2S and molecular weight 461.07 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-4-ylacetamide.
Chemical Property Profile of A3918/0166678
Property Insights of A3918/0166678
The XLogP value of 5.4597 indicates that A3918/0166678 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.84 Ų falls within the moderate polarity range, balancing permeability and solubility for A3918/0166678. Following Lipinski's Rule of Five, A3918/0166678 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3918/0166678?
The CAS number of A3918/0166678 is 889948-65-6.
What is the molecular formula of A3918/0166678?
The molecular formula of A3918/0166678 is C23H16ClN5O2S.
What is the molecular weight of A3918/0166678?
The molecular weight of A3918/0166678 is 461.07 g/mol.
Where can I buy A3918/0166678?
You can request a quote for A3918/0166678 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3918/0166678?
Yes, KEHONG BIO provides custom synthesis services for A3918/0166678 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.