BAS 02137438
TL;DR: BAS 02137438 (CAS 482646-29-7) is a chemical compound with molecular formula C20H22FN5O2S and molecular weight 415.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-[(4-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
Also Known As: BAS 02137438, 2-({4-ethyl-5-[(4-methoxyanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-fluorophenyl)acetamide, 2-[[4-ethyl-5-[(4-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide, 2-{4-Ethyl-5-[(4-methoxy-phenylamino)-methyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-N-(4-fluoro-phenyl)-acetamide, 2-(4-ethyl-5-{[(4-methoxyphenyl)amino]methyl}(1,2,4-triazol-3-ylthio))-N-(4-fl uorophenyl)acetamide
| Molecular Formula | C20H22FN5O2S |
|---|---|
| Molecular Weight | 415.15 g/mol |
| LogP | 3.7886 |
| Topological Polar Surface Area | 81.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 415.14783 |
| Heavy Atoms | 29 |
| Complexity | 944.5103 |
Chemical Identifiers
| CAS Number | 482646-29-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)F)CNC3=CC=C(C=C3)OC |
Product Overview
BAS 02137438 (CAS 482646-29-7), with molecular formula C20H22FN5O2S and molecular weight 415.15 g/mol. IUPAC: 2-[[4-ethyl-5-[(4-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide.
Chemical Property Profile of BAS 02137438
Property Insights of BAS 02137438
The XLogP value of 3.7886 indicates that BAS 02137438 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02137438. Following Lipinski's Rule of Five, BAS 02137438 has 2 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 02137438?
The CAS number of BAS 02137438 is 482646-29-7.
What is the molecular formula of BAS 02137438?
The molecular formula of BAS 02137438 is C20H22FN5O2S.
What is the molecular weight of BAS 02137438?
The molecular weight of BAS 02137438 is 415.15 g/mol.
Where can I buy BAS 02137438?
You can request a quote for BAS 02137438 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02137438?
Yes, KEHONG BIO provides custom synthesis services for BAS 02137438 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.