BAS 01916065
TL;DR: BAS 01916065 (CAS 332934-88-0) is a chemical compound with molecular formula C24H19BrN4O3S and molecular weight 522.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 01916065, Methyl 4-(2-((5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 4-[({[5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, methyl 4-[[2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate, methyl 4-[({[5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetyl)amino]benzoate
| Molecular Formula | C24H19BrN4O3S |
|---|---|
| Molecular Weight | 522.04 g/mol |
| LogP | 5.2142 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.03613 |
| Heavy Atoms | 33 |
| Complexity | 1276.6312 |
Chemical Identifiers
| CAS Number | 332934-88-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4Br |
Product Overview
BAS 01916065 (CAS 332934-88-0), with molecular formula C24H19BrN4O3S and molecular weight 522.04 g/mol. IUPAC: methyl 4-[[2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of BAS 01916065
Property Insights of BAS 01916065
The XLogP value of 5.2142 indicates that BAS 01916065 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01916065. Following Lipinski's Rule of Five, BAS 01916065 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 BAS 01916065?
The CAS number of BAS 01916065 is 332934-88-0.
What is the molecular formula of BAS 01916065?
The molecular formula of BAS 01916065 is C24H19BrN4O3S.
What is the molecular weight of BAS 01916065?
The molecular weight of BAS 01916065 is 522.04 g/mol.
Where can I buy BAS 01916065?
You can request a quote for BAS 01916065 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01916065?
Yes, KEHONG BIO provides custom synthesis services for BAS 01916065 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.