BAS 02138697
TL;DR: BAS 02138697 (CAS 333314-17-3) is a chemical compound with molecular formula C19H19ClIN5OS and molecular weight 527.00 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-(4-iodo-2-methylphenyl)acetamide
Also Known As: BAS 02138697, 2-((5-(((4-Chlorophenyl)amino)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-iodo-2-methylphenyl)acetamide, 2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide, 2-{5-[(4-Chloro-phenylamino)-methyl]-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl}-N-(4-iodo-2-methyl-phenyl)-acetamide
| Molecular Formula | C19H19ClIN5OS |
|---|---|
| Molecular Weight | 527.00 g/mol |
| LogP | 4.72442 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 527.00433 |
| Heavy Atoms | 28 |
| Complexity | 976.9554 |
Chemical Identifiers
| CAS Number | 333314-17-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)I)NC(=O)CSC2=NN=C(N2C)CNC3=CC=C(C=C3)Cl |
Product Overview
BAS 02138697 (CAS 333314-17-3), with molecular formula C19H19ClIN5OS and molecular weight 527.00 g/mol. IUPAC: 2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide.
Chemical Property Profile of BAS 02138697
Property Insights of BAS 02138697
The XLogP value of 4.72442 indicates that BAS 02138697 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02138697. Following Lipinski's Rule of Five, BAS 02138697 has 2 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 02138697?
The CAS number of BAS 02138697 is 333314-17-3.
What is the molecular formula of BAS 02138697?
The molecular formula of BAS 02138697 is C19H19ClIN5OS.
What is the molecular weight of BAS 02138697?
The molecular weight of BAS 02138697 is 527.00 g/mol.
Where can I buy BAS 02138697?
You can request a quote for BAS 02138697 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02138697?
Yes, KEHONG BIO provides custom synthesis services for BAS 02138697 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.