2-(Methylsulfonyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
TL;DR: 2-(Methylsulfonyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 154384-08-4) is a chemical compound with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfonyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-(methylsulfonyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, AM-807/25099034, 2-methylsulfonyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-(methylsulfonyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
| Molecular Formula | C11H12N2O2S |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 1.23558 |
| Topological Polar Surface Area | 70.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.06195 |
| Heavy Atoms | 16 |
| Complexity | 570.38275 |
Chemical Identifiers
| CAS Number | 154384-08-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=C(C=C2CCCCC2=N1)C#N |
Product Overview
2-(Methylsulfonyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 154384-08-4), with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol. IUPAC: 2-methylsulfonyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-(Methylsulfonyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Property Insights of 2-(Methylsulfonyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
The XLogP value of 1.23558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylsulfonyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile. The TPSA of 70.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methylsulfonyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 2-(Methylsulfonyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile 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 2-(Methylsulfonyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The CAS number of 2-(Methylsulfonyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 154384-08-4.
What is the molecular formula of 2-(Methylsulfonyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular formula of 2-(Methylsulfonyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is C11H12N2O2S.
What is the molecular weight of 2-(Methylsulfonyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular weight of 2-(Methylsulfonyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 236.06 g/mol.
Where can I buy 2-(Methylsulfonyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
You can request a quote for 2-(Methylsulfonyl)-5,6,7,8-tetrahydroquinoline-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-(Methylsulfonyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylsulfonyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.