2-Ethylsulfanyl-6-methylquinoline-3-carbonitrile
TL;DR: 2-Ethylsulfanyl-6-methylquinoline-3-carbonitrile (CAS 333328-79-3) is a chemical compound with molecular formula C13H12N2S and molecular weight 228.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanyl-6-methylquinoline-3-carbonitrile
Also Known As: 2-ethylsulfanyl-6-methylquinoline-3-carbonitrile, BAS 02240362, 2-(ethylsulfanyl)-6-methylquinoline-3-carbonitrile, 2-Ethylsulfanyl-6-methyl-quinoline-3-carbonitrile
| Molecular Formula | C13H12N2S |
|---|---|
| Molecular Weight | 228.07 g/mol |
| LogP | 3.5269 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.07211 |
| Heavy Atoms | 16 |
| Complexity | 569.8897 |
Chemical Identifiers
| CAS Number | 333328-79-3 |
|---|---|
| SMILES | CCSC1=C(C=C2C=C(C=CC2=N1)C)C#N |
Product Overview
2-Ethylsulfanyl-6-methylquinoline-3-carbonitrile (CAS 333328-79-3), with molecular formula C13H12N2S and molecular weight 228.07 g/mol. IUPAC: 2-ethylsulfanyl-6-methylquinoline-3-carbonitrile.
Chemical Property Profile of 2-Ethylsulfanyl-6-methylquinoline-3-carbonitrile
Property Insights of 2-Ethylsulfanyl-6-methylquinoline-3-carbonitrile
The XLogP value of 3.5269 indicates that 2-Ethylsulfanyl-6-methylquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 2-Ethylsulfanyl-6-methylquinoline-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylsulfanyl-6-methylquinoline-3-carbonitrile has 0 hydrogen bond donor(s) and 3 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 2-Ethylsulfanyl-6-methylquinoline-3-carbonitrile?
The CAS number of 2-Ethylsulfanyl-6-methylquinoline-3-carbonitrile is 333328-79-3.
What is the molecular formula of 2-Ethylsulfanyl-6-methylquinoline-3-carbonitrile?
The molecular formula of 2-Ethylsulfanyl-6-methylquinoline-3-carbonitrile is C13H12N2S.
What is the molecular weight of 2-Ethylsulfanyl-6-methylquinoline-3-carbonitrile?
The molecular weight of 2-Ethylsulfanyl-6-methylquinoline-3-carbonitrile is 228.07 g/mol.
Where can I buy 2-Ethylsulfanyl-6-methylquinoline-3-carbonitrile?
You can request a quote for 2-Ethylsulfanyl-6-methylquinoline-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylsulfanyl-6-methylquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylsulfanyl-6-methylquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.