BAS 02071311
TL;DR: BAS 02071311 (CAS 482639-74-7) is a chemical compound with molecular formula C18H16F3N5OS and molecular weight 407.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: BAS 02071311, 2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide, 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 2-{[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE, 2-((4-Ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(3-(trifluoromethyl)phenyl)acetamide
| Molecular Formula | C18H16F3N5OS |
|---|---|
| Molecular Weight | 407.10 g/mol |
| LogP | 4.1096 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.10275 |
| Heavy Atoms | 28 |
| Complexity | 959.355 |
Chemical Identifiers
| CAS Number | 482639-74-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC=NC=C3 |
Product Overview
BAS 02071311 (CAS 482639-74-7), with molecular formula C18H16F3N5OS and molecular weight 407.10 g/mol. IUPAC: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of BAS 02071311
Property Insights of BAS 02071311
The XLogP value of 4.1096 indicates that BAS 02071311 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 02071311. Following Lipinski's Rule of Five, BAS 02071311 has 1 hydrogen bond donor(s) and 5 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 02071311?
The CAS number of BAS 02071311 is 482639-74-7.
What is the molecular formula of BAS 02071311?
The molecular formula of BAS 02071311 is C18H16F3N5OS.
What is the molecular weight of BAS 02071311?
The molecular weight of BAS 02071311 is 407.10 g/mol.
Where can I buy BAS 02071311?
You can request a quote for BAS 02071311 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02071311?
Yes, KEHONG BIO provides custom synthesis services for BAS 02071311 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.