A4049/0172714
TL;DR: A4049/0172714 (CAS 537016-71-0) is a chemical compound with molecular formula C13H6Cl2N4S2 and molecular weight 351.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dichlorophenyl)-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: A4049/0172714, 3-(2,4-dichlorophenyl)-6-(thiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(2,4-DICHLOROPHENYL)-6-(2-THIENYL)[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE, 3-(2,4-dichlorophenyl)-6-(thiophen-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(2,4-dichlorophenyl)-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C13H6Cl2N4S2 |
|---|---|
| Molecular Weight | 351.94 g/mol |
| LogP | 4.8881 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.9411 |
| Heavy Atoms | 21 |
| Complexity | 927.11383 |
Chemical Identifiers
| CAS Number | 537016-71-0 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NN3C(=NN=C3S2)C4=C(C=C(C=C4)Cl)Cl |
Product Overview
A4049/0172714 (CAS 537016-71-0), with molecular formula C13H6Cl2N4S2 and molecular weight 351.94 g/mol. IUPAC: 3-(2,4-dichlorophenyl)-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of A4049/0172714
Property Insights of A4049/0172714
The XLogP value of 4.8881 indicates that A4049/0172714 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.08 Ų, A4049/0172714 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4049/0172714 has 0 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 A4049/0172714?
The CAS number of A4049/0172714 is 537016-71-0.
What is the molecular formula of A4049/0172714?
The molecular formula of A4049/0172714 is C13H6Cl2N4S2.
What is the molecular weight of A4049/0172714?
The molecular weight of A4049/0172714 is 351.94 g/mol.
Where can I buy A4049/0172714?
You can request a quote for A4049/0172714 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4049/0172714?
Yes, KEHONG BIO provides custom synthesis services for A4049/0172714 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.