BAS 02071401
TL;DR: BAS 02071401 (CAS 482640-33-5) is a chemical compound with molecular formula C23H18F3N5OS and molecular weight 469.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: BAS 02071401, 2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide, 2-{[4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide, 2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide, 2-((5-(pyridin-4-yl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide
| Molecular Formula | C23H18F3N5OS |
|---|---|
| Molecular Weight | 469.12 g/mol |
| LogP | 5.38732 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.1184 |
| Heavy Atoms | 33 |
| Complexity | 1257.3395 |
Chemical Identifiers
| CAS Number | 482640-33-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C(F)(F)F)C4=CC=NC=C4 |
Product Overview
BAS 02071401 (CAS 482640-33-5), with molecular formula C23H18F3N5OS and molecular weight 469.12 g/mol. IUPAC: 2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of BAS 02071401
Property Insights of BAS 02071401
The XLogP value of 5.38732 indicates that BAS 02071401 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 02071401. Following Lipinski's Rule of Five, BAS 02071401 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 02071401?
The CAS number of BAS 02071401 is 482640-33-5.
What is the molecular formula of BAS 02071401?
The molecular formula of BAS 02071401 is C23H18F3N5OS.
What is the molecular weight of BAS 02071401?
The molecular weight of BAS 02071401 is 469.12 g/mol.
Where can I buy BAS 02071401?
You can request a quote for BAS 02071401 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02071401?
Yes, KEHONG BIO provides custom synthesis services for BAS 02071401 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.