BAS 01157568
TL;DR: BAS 01157568 (CAS 332127-56-7) is a chemical compound with molecular formula C17H14BrClN4O2S and molecular weight 451.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
Also Known As: BAS 01157568, 2-((3-(3-Bromophenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(5-chloro-2-methoxyphenyl)acetamide, 2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide, 2-[5-(3-Bromo-phenyl)-2H-[1,2,4]triazol-3-ylsulfanyl]-N-(5-chloro-2-methoxy-phenyl)-acetamide
| Molecular Formula | C17H14BrClN4O2S |
|---|---|
| Molecular Weight | 451.97 g/mol |
| LogP | 4.627 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.97095 |
| Heavy Atoms | 26 |
| Complexity | 934.6313 |
Chemical Identifiers
| CAS Number | 332127-56-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NNC(=N2)C3=CC(=CC=C3)Br |
Product Overview
BAS 01157568 (CAS 332127-56-7), with molecular formula C17H14BrClN4O2S and molecular weight 451.97 g/mol. IUPAC: 2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide.
Chemical Property Profile of BAS 01157568
Property Insights of BAS 01157568
The XLogP value of 4.627 indicates that BAS 01157568 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01157568. Following Lipinski's Rule of Five, BAS 01157568 has 2 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 BAS 01157568?
The CAS number of BAS 01157568 is 332127-56-7.
What is the molecular formula of BAS 01157568?
The molecular formula of BAS 01157568 is C17H14BrClN4O2S.
What is the molecular weight of BAS 01157568?
The molecular weight of BAS 01157568 is 451.97 g/mol.
Where can I buy BAS 01157568?
You can request a quote for BAS 01157568 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01157568?
Yes, KEHONG BIO provides custom synthesis services for BAS 01157568 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.