BAS 02325404
TL;DR: BAS 02325404 (CAS 485334-10-9) is a chemical compound with molecular formula C21H22N4O3S and molecular weight 410.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 02325404, ethyl 4-({[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate, ethyl 4-[2-(4-ethyl-5-phenyl-1,2,4-triazol-3-ylthio)acetylamino]benzoate, ethyl 4-(2-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, ethyl 4-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C21H22N4O3S |
|---|---|
| Molecular Weight | 410.14 g/mol |
| LogP | 3.8725 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 410.14127 |
| Heavy Atoms | 29 |
| Complexity | 971.3511 |
Chemical Identifiers
| CAS Number | 485334-10-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OCC)C3=CC=CC=C3 |
Product Overview
BAS 02325404 (CAS 485334-10-9), with molecular formula C21H22N4O3S and molecular weight 410.14 g/mol. IUPAC: ethyl 4-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of BAS 02325404
Property Insights of BAS 02325404
The XLogP value of 3.8725 indicates that BAS 02325404 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 02325404. Following Lipinski's Rule of Five, BAS 02325404 has 1 hydrogen bond donor(s) and 6 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 02325404?
The CAS number of BAS 02325404 is 485334-10-9.
What is the molecular formula of BAS 02325404?
The molecular formula of BAS 02325404 is C21H22N4O3S.
What is the molecular weight of BAS 02325404?
The molecular weight of BAS 02325404 is 410.14 g/mol.
Where can I buy BAS 02325404?
You can request a quote for BAS 02325404 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02325404?
Yes, KEHONG BIO provides custom synthesis services for BAS 02325404 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.