BAS 02138703
TL;DR: BAS 02138703 (CAS 333314-29-7) is a chemical compound with molecular formula C20H20ClN5O3S and molecular weight 445.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 02138703, Methyl 2-(2-((5-(((4-chlorophenyl)amino)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 2-[[2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate, 2-(2-{5-[(4-Chloro-phenylamino)-methyl]-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl}-acetylamino)-benzoic acid methyl ester, methyl 2-[2-(5-{[(4-chlorophenyl)amino]methyl}-4-methyl-1,2,4-triazol-3-ylthio )acetylamino]benzoate
| Molecular Formula | C20H20ClN5O3S |
|---|---|
| Molecular Weight | 445.10 g/mol |
| LogP | 3.598 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.09753 |
| Heavy Atoms | 30 |
| Complexity | 1039.1761 |
Chemical Identifiers
| CAS Number | 333314-29-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC)CNC3=CC=C(C=C3)Cl |
Product Overview
BAS 02138703 (CAS 333314-29-7), with molecular formula C20H20ClN5O3S and molecular weight 445.10 g/mol. IUPAC: methyl 2-[[2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of BAS 02138703
Property Insights of BAS 02138703
The XLogP value of 3.598 indicates that BAS 02138703 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.14 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02138703. Following Lipinski's Rule of Five, BAS 02138703 has 2 hydrogen bond donor(s) and 7 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 02138703?
The CAS number of BAS 02138703 is 333314-29-7.
What is the molecular formula of BAS 02138703?
The molecular formula of BAS 02138703 is C20H20ClN5O3S.
What is the molecular weight of BAS 02138703?
The molecular weight of BAS 02138703 is 445.10 g/mol.
Where can I buy BAS 02138703?
You can request a quote for BAS 02138703 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02138703?
Yes, KEHONG BIO provides custom synthesis services for BAS 02138703 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.