BAS 02054531
TL;DR: BAS 02054531 (CAS 338425-84-6) is a chemical compound with molecular formula C23H20ClN5OS and molecular weight 449.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 02054531, N-(3-chloro-4-methylphenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3-chloro-4-methylphenyl)-2-((5-(pyridin-4-yl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3-chloro-4-methylphenyl)-2-{[4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3-chloro-4-methylphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C23H20ClN5OS |
|---|---|
| Molecular Weight | 449.11 g/mol |
| LogP | 5.33034 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.1077 |
| Heavy Atoms | 31 |
| Complexity | 1208.6312 |
Chemical Identifiers
| CAS Number | 338425-84-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)C)Cl)C4=CC=NC=C4 |
Product Overview
BAS 02054531 (CAS 338425-84-6), with molecular formula C23H20ClN5OS and molecular weight 449.11 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 02054531
Property Insights of BAS 02054531
The XLogP value of 5.33034 indicates that BAS 02054531 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02054531. Following Lipinski's Rule of Five, BAS 02054531 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 02054531?
The CAS number of BAS 02054531 is 338425-84-6.
What is the molecular formula of BAS 02054531?
The molecular formula of BAS 02054531 is C23H20ClN5OS.
What is the molecular weight of BAS 02054531?
The molecular weight of BAS 02054531 is 449.11 g/mol.
Where can I buy BAS 02054531?
You can request a quote for BAS 02054531 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02054531?
Yes, KEHONG BIO provides custom synthesis services for BAS 02054531 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.