5-o-Cyanobenzyl-4,5,6,7-tetrahydrothieno(3,2-c)pyridine methanesulfonate
TL;DR: 5-o-Cyanobenzyl-4,5,6,7-tetrahydrothieno(3,2-c)pyridine methanesulfonate (CAS 82350-97-8) is a chemical compound with molecular formula C16H18N2O3S2 and molecular weight 350.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzonitrile;methanesulfonic acid
Also Known As: 5-o-Cyanobenzyl-4,5,6,7-tetrahydrothieno(3,2-c)pyridine methanesulfonate, Benzonitirle, o-((4,5,6,7-tetrahydrothieno(3,2-c)pyridin-5-yl)methyl)-, methanesulfonate, o-((4,5,6,7-Tetrahydrothieno(3,2-c)pyridin-5-yl)methyl)benzonitrile methanesulfonate, 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzonitrile,methanesulfonic acid, 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzonitrile; methanesulfonic acid
| Molecular Formula | C16H18N2O3S2 |
|---|---|
| Molecular Weight | 350.08 g/mol |
| LogP | 2.68208 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.0759 |
| Heavy Atoms | 23 |
| Complexity | 798.72797 |
Chemical Identifiers
| CAS Number | 82350-97-8 |
|---|---|
| SMILES | CS(=O)(=O)O.C1CN(CC2=C1SC=C2)CC3=CC=CC=C3C#N |
Product Overview
5-o-Cyanobenzyl-4,5,6,7-tetrahydrothieno(3,2-c)pyridine methanesulfonate (CAS 82350-97-8), with molecular formula C16H18N2O3S2 and molecular weight 350.08 g/mol. IUPAC: 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzonitrile;methanesulfonic acid.
Chemical Property Profile of 5-o-Cyanobenzyl-4,5,6,7-tetrahydrothieno(3,2-c)pyridine methanesulfonate
Property Insights of 5-o-Cyanobenzyl-4,5,6,7-tetrahydrothieno(3,2-c)pyridine methanesulfonate
The XLogP value of 2.68208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-o-Cyanobenzyl-4,5,6,7-tetrahydrothieno(3,2-c)pyridine methanesulfonate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-o-Cyanobenzyl-4,5,6,7-tetrahydrothieno(3,2-c)pyridine methanesulfonate. Following Lipinski's Rule of Five, 5-o-Cyanobenzyl-4,5,6,7-tetrahydrothieno(3,2-c)pyridine methanesulfonate 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 5-o-Cyanobenzyl-4,5,6,7-tetrahydrothieno(3,2-c)pyridine methanesulfonate?
The CAS number of 5-o-Cyanobenzyl-4,5,6,7-tetrahydrothieno(3,2-c)pyridine methanesulfonate is 82350-97-8.
What is the molecular formula of 5-o-Cyanobenzyl-4,5,6,7-tetrahydrothieno(3,2-c)pyridine methanesulfonate?
The molecular formula of 5-o-Cyanobenzyl-4,5,6,7-tetrahydrothieno(3,2-c)pyridine methanesulfonate is C16H18N2O3S2.
What is the molecular weight of 5-o-Cyanobenzyl-4,5,6,7-tetrahydrothieno(3,2-c)pyridine methanesulfonate?
The molecular weight of 5-o-Cyanobenzyl-4,5,6,7-tetrahydrothieno(3,2-c)pyridine methanesulfonate is 350.08 g/mol.
Where can I buy 5-o-Cyanobenzyl-4,5,6,7-tetrahydrothieno(3,2-c)pyridine methanesulfonate?
You can request a quote for 5-o-Cyanobenzyl-4,5,6,7-tetrahydrothieno(3,2-c)pyridine methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-o-Cyanobenzyl-4,5,6,7-tetrahydrothieno(3,2-c)pyridine methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 5-o-Cyanobenzyl-4,5,6,7-tetrahydrothieno(3,2-c)pyridine methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.