BAS 04914268
TL;DR: BAS 04914268 (CAS 487033-92-1) is a chemical compound with molecular formula C15H16N4OS and molecular weight 300.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dimethylindol-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: BAS 04914268, 1-(2,3-dimethyl-1H-indol-1-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone, 1-(2,3-dimethylindolyl)-2-(4-methyl(1,2,4-triazol-3-ylthio))ethan-1-one, 1-(2,3-dimethyl-1H-indol-1-yl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-(2,3-dimethylindol-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
| Molecular Formula | C15H16N4OS |
|---|---|
| Molecular Weight | 300.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 78.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.1045 |
| Heavy Atoms | 21 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 487033-92-1 |
|---|---|
| SMILES | CC1=C(N(C2=CC=CC=C12)C(=O)CSC3=NN=CN3C)C |
| InChIKey | YNOFHGVXNIYTNJ-UHFFFAOYSA-N |
Product Overview
BAS 04914268 (CAS 487033-92-1), with molecular formula C15H16N4OS and molecular weight 300.10 g/mol. IUPAC: 1-(2,3-dimethylindol-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of BAS 04914268
Property Insights of BAS 04914268
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04914268. The TPSA of 78.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04914268. Following Lipinski's Rule of Five, BAS 04914268 has 0 hydrogen bond donor(s) and 4 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 04914268?
The CAS number of BAS 04914268 is 487033-92-1.
What is the molecular formula of BAS 04914268?
The molecular formula of BAS 04914268 is C15H16N4OS.
What is the molecular weight of BAS 04914268?
The molecular weight of BAS 04914268 is 300.10 g/mol.
Where can I buy BAS 04914268?
You can request a quote for BAS 04914268 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04914268?
Yes, KEHONG BIO provides custom synthesis services for BAS 04914268 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.