A3486/0147827
TL;DR: A3486/0147827 (CAS 696650-69-8) is a chemical compound with molecular formula C22H19ClN4OS2 and molecular weight 454.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2-[[4-(2-phenylethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: A3486/0147827, N-(4-chlorophenyl)-2-{[4-(2-phenylethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-chlorophenyl)-2-[(4-phenethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(4-chlorophenyl)-2-((4-phenethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C22H19ClN4OS2 |
|---|---|
| Molecular Weight | 454.07 g/mol |
| LogP | 5.6335 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.06888 |
| Heavy Atoms | 30 |
| Complexity | 1096.145 |
Chemical Identifiers
| CAS Number | 696650-69-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CS4 |
Product Overview
A3486/0147827 (CAS 696650-69-8), with molecular formula C22H19ClN4OS2 and molecular weight 454.07 g/mol. IUPAC: N-(4-chlorophenyl)-2-[[4-(2-phenylethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of A3486/0147827
Property Insights of A3486/0147827
The XLogP value of 5.6335 indicates that A3486/0147827 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, A3486/0147827 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3486/0147827 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3486/0147827?
The CAS number of A3486/0147827 is 696650-69-8.
What is the molecular formula of A3486/0147827?
The molecular formula of A3486/0147827 is C22H19ClN4OS2.
What is the molecular weight of A3486/0147827?
The molecular weight of A3486/0147827 is 454.07 g/mol.
Where can I buy A3486/0147827?
You can request a quote for A3486/0147827 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3486/0147827?
Yes, KEHONG BIO provides custom synthesis services for A3486/0147827 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.