(+)-Methyl (1RS-exo,exo)-8-methyl-2-(2-thienyl)-8-azabicyclo(3.2.1)octane-3-carboxylate HCl
TL;DR: (+)-Methyl (1RS-exo,exo)-8-methyl-2-(2-thienyl)-8-azabicyclo(3.2.1)octane-3-carboxylate HCl (CAS 68398-24-3) is a chemical compound with molecular formula C14H20ClNO2S and molecular weight 301.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S)-8-methyl-2-thiophen-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride
Also Known As: (+)-Methyl (1RS-exo,exo)-8-methyl-2-(2-thienyl)-8-azabicyclo(3.2.1)octane-3-carboxylate HCl, 8-Azabicyclo(3.2.1)octane-3-carboxylic acid, 8-methyl-2-(2-thienyl)-, methyl ester, hydrochloride, (1S-(exo,exo))-, methyl (5S)-8-methyl-4-thiophen-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylate hydrochloride, RefChem:1074658
| Molecular Formula | C14H20ClNO2S |
|---|---|
| Molecular Weight | 301.09 g/mol |
| LogP | 2.9092 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.09033 |
| Heavy Atoms | 19 |
| Complexity | 436.66418 |
Chemical Identifiers
| CAS Number | 68398-24-3 |
|---|---|
| SMILES | CN1[C@H]2CCC1CC(C2C3=CC=CS3)C(=O)OC.Cl |
Product Overview
(+)-Methyl (1RS-exo,exo)-8-methyl-2-(2-thienyl)-8-azabicyclo(3.2.1)octane-3-carboxylate HCl (CAS 68398-24-3), with molecular formula C14H20ClNO2S and molecular weight 301.09 g/mol. IUPAC: methyl (1S)-8-methyl-2-thiophen-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride.
Chemical Property Profile of (+)-Methyl (1RS-exo,exo)-8-methyl-2-(2-thienyl)-8-azabicyclo(3.2.1)octane-3-carboxylate HCl
Property Insights of (+)-Methyl (1RS-exo,exo)-8-methyl-2-(2-thienyl)-8-azabicyclo(3.2.1)octane-3-carboxylate HCl
The XLogP value of 2.9092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+)-Methyl (1RS-exo,exo)-8-methyl-2-(2-thienyl)-8-azabicyclo(3.2.1)octane-3-carboxylate HCl. With a topological polar surface area (TPSA) of 29.54 Ų, (+)-Methyl (1RS-exo,exo)-8-methyl-2-(2-thienyl)-8-azabicyclo(3.2.1)octane-3-carboxylate HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+)-Methyl (1RS-exo,exo)-8-methyl-2-(2-thienyl)-8-azabicyclo(3.2.1)octane-3-carboxylate HCl 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 (+)-Methyl (1RS-exo,exo)-8-methyl-2-(2-thienyl)-8-azabicyclo(3.2.1)octane-3-carboxylate HCl?
The CAS number of (+)-Methyl (1RS-exo,exo)-8-methyl-2-(2-thienyl)-8-azabicyclo(3.2.1)octane-3-carboxylate HCl is 68398-24-3.
What is the molecular formula of (+)-Methyl (1RS-exo,exo)-8-methyl-2-(2-thienyl)-8-azabicyclo(3.2.1)octane-3-carboxylate HCl?
The molecular formula of (+)-Methyl (1RS-exo,exo)-8-methyl-2-(2-thienyl)-8-azabicyclo(3.2.1)octane-3-carboxylate HCl is C14H20ClNO2S.
What is the molecular weight of (+)-Methyl (1RS-exo,exo)-8-methyl-2-(2-thienyl)-8-azabicyclo(3.2.1)octane-3-carboxylate HCl?
The molecular weight of (+)-Methyl (1RS-exo,exo)-8-methyl-2-(2-thienyl)-8-azabicyclo(3.2.1)octane-3-carboxylate HCl is 301.09 g/mol.
Where can I buy (+)-Methyl (1RS-exo,exo)-8-methyl-2-(2-thienyl)-8-azabicyclo(3.2.1)octane-3-carboxylate HCl?
You can request a quote for (+)-Methyl (1RS-exo,exo)-8-methyl-2-(2-thienyl)-8-azabicyclo(3.2.1)octane-3-carboxylate HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Methyl (1RS-exo,exo)-8-methyl-2-(2-thienyl)-8-azabicyclo(3.2.1)octane-3-carboxylate HCl?
Yes, KEHONG BIO provides custom synthesis services for (+)-Methyl (1RS-exo,exo)-8-methyl-2-(2-thienyl)-8-azabicyclo(3.2.1)octane-3-carboxylate HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.