BAS 02138707
TL;DR: BAS 02138707 (CAS 333314-33-3) is a chemical compound with molecular formula C24H22ClN5OS and molecular weight 463.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenylacetamide
Also Known As: BAS 02138707, 2-((5-(((4-Chlorophenyl)amino)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N,N-diphenylacetamide, 2-(5-{[(4-chlorophenyl)amino]methyl}-4-methyl(1,2,4-triazol-3-ylthio))-N,N-dip henylacetamide, 2-[(5-{[(4-chlorophenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylacetamide, 2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenylacetamide
| Molecular Formula | C24H22ClN5OS |
|---|---|
| Molecular Weight | 463.12 g/mol |
| LogP | 5.5376 |
| Topological Polar Surface Area | 63.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 463.12335 |
| Heavy Atoms | 32 |
| Complexity | 1126.741 |
Chemical Identifiers
| CAS Number | 333314-33-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)CNC4=CC=C(C=C4)Cl |
Product Overview
BAS 02138707 (CAS 333314-33-3), with molecular formula C24H22ClN5OS and molecular weight 463.12 g/mol. IUPAC: 2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenylacetamide.
Chemical Property Profile of BAS 02138707
Property Insights of BAS 02138707
The XLogP value of 5.5376 indicates that BAS 02138707 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02138707. Following Lipinski's Rule of Five, BAS 02138707 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02138707?
The CAS number of BAS 02138707 is 333314-33-3.
What is the molecular formula of BAS 02138707?
The molecular formula of BAS 02138707 is C24H22ClN5OS.
What is the molecular weight of BAS 02138707?
The molecular weight of BAS 02138707 is 463.12 g/mol.
Where can I buy BAS 02138707?
You can request a quote for BAS 02138707 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02138707?
Yes, KEHONG BIO provides custom synthesis services for BAS 02138707 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.