BAS 01916105
TL;DR: BAS 01916105 (CAS 332935-26-9) is a chemical compound with molecular formula C24H19N5O5S and molecular weight 489.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 01916105, Methyl 4-(2-((5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 4-[({[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, Methyl4-(2-((5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, 4-{2-[5-(4-Nitro-phenyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-benzoic acid methyl ester
| Molecular Formula | C24H19N5O5S |
|---|---|
| Molecular Weight | 489.11 g/mol |
| LogP | 4.3599 |
| Topological Polar Surface Area | 129.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 489.1107 |
| Heavy Atoms | 35 |
| Complexity | 1355.5875 |
Chemical Identifiers
| CAS Number | 332935-26-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
BAS 01916105 (CAS 332935-26-9), with molecular formula C24H19N5O5S and molecular weight 489.11 g/mol. IUPAC: methyl 4-[[2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of BAS 01916105
Property Insights of BAS 01916105
The XLogP value of 4.3599 indicates that BAS 01916105 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.25 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01916105. Following Lipinski's Rule of Five, BAS 01916105 has 1 hydrogen bond donor(s) and 8 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 01916105?
The CAS number of BAS 01916105 is 332935-26-9.
What is the molecular formula of BAS 01916105?
The molecular formula of BAS 01916105 is C24H19N5O5S.
What is the molecular weight of BAS 01916105?
The molecular weight of BAS 01916105 is 489.11 g/mol.
Where can I buy BAS 01916105?
You can request a quote for BAS 01916105 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01916105?
Yes, KEHONG BIO provides custom synthesis services for BAS 01916105 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.