A4091/0174427
TL;DR: A4091/0174427 (CAS 537016-69-6) is a chemical compound with molecular formula C15H7Cl3N4S and molecular weight 379.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: A4091/0174427, 6-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(4-chlorophenyl)-3-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C15H7Cl3N4S |
|---|---|
| Molecular Weight | 379.95 g/mol |
| LogP | 5.48 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 379.9457 |
| Heavy Atoms | 23 |
| Complexity | 1007.4193 |
Chemical Identifiers
| CAS Number | 537016-69-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NN3C(=NN=C3S2)C4=C(C=C(C=C4)Cl)Cl)Cl |
Product Overview
A4091/0174427 (CAS 537016-69-6), with molecular formula C15H7Cl3N4S and molecular weight 379.95 g/mol. IUPAC: 6-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of A4091/0174427
Property Insights of A4091/0174427
The XLogP value of 5.48 indicates that A4091/0174427 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.08 Ų, A4091/0174427 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4091/0174427 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A4091/0174427?
The CAS number of A4091/0174427 is 537016-69-6.
What is the molecular formula of A4091/0174427?
The molecular formula of A4091/0174427 is C15H7Cl3N4S.
What is the molecular weight of A4091/0174427?
The molecular weight of A4091/0174427 is 379.95 g/mol.
Where can I buy A4091/0174427?
You can request a quote for A4091/0174427 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4091/0174427?
Yes, KEHONG BIO provides custom synthesis services for A4091/0174427 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.