BAS 02054486
TL;DR: BAS 02054486 (CAS 338425-67-5) is a chemical compound with molecular formula C17H16N4O2S and molecular weight 340.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: BAS 02054486, 1-(4-methoxyphenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 1-(4-methoxyphenyl)-2-((4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-(4-methoxyphenyl)-2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))ethan-1- one, 1-(4-methoxyphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
| Molecular Formula | C17H16N4O2S |
|---|---|
| Molecular Weight | 340.10 g/mol |
| LogP | 2.8607 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.0994 |
| Heavy Atoms | 24 |
| Complexity | 831.5567 |
Chemical Identifiers
| CAS Number | 338425-67-5 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)C3=CC=NC=C3 |
Product Overview
BAS 02054486 (CAS 338425-67-5), with molecular formula C17H16N4O2S and molecular weight 340.10 g/mol. IUPAC: 1-(4-methoxyphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of BAS 02054486
Property Insights of BAS 02054486
The XLogP value of 2.8607 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02054486. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02054486. Following Lipinski's Rule of Five, BAS 02054486 has 0 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 02054486?
The CAS number of BAS 02054486 is 338425-67-5.
What is the molecular formula of BAS 02054486?
The molecular formula of BAS 02054486 is C17H16N4O2S.
What is the molecular weight of BAS 02054486?
The molecular weight of BAS 02054486 is 340.10 g/mol.
Where can I buy BAS 02054486?
You can request a quote for BAS 02054486 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02054486?
Yes, KEHONG BIO provides custom synthesis services for BAS 02054486 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.