8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-chloro-3-methylphenyl)-8-methyl-, methyl ester, (1R,2S,3S,5S)-
TL;DR: 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-chloro-3-methylphenyl)-8-methyl-, methyl ester, (1R,2S,3S,5S)- (CAS 150653-92-2) is a chemical compound with molecular formula C17H22ClNO2 and molecular weight 307.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,2S,3S,5S)-3-(4-chloro-3-methylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Also Known As: 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-chloro-3-methylphenyl)-8-methyl-, methyl ester, (1R,2S,3S,5S)-, Methyl (1R,2S,3S,5S)-3-(4-chloro-3-methylphenyl)-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylate, 2beta-carbomethoxy-3beta-(3-methyl-4-chlorophenyl)tropane, Methyl (1R,2S,3S,5S)-3-(4-chloro-3-methylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate, (1R,2S,3S,5S)-3-(4-Chloro-3-methylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic Acid Methyl Ester Hydrochloride
| Molecular Formula | C17H22ClNO2 |
|---|---|
| Molecular Weight | 307.13 g/mol |
| LogP | 3.38772 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.1339 |
| Heavy Atoms | 21 |
| Complexity | 559.7211 |
Chemical Identifiers
| CAS Number | 150653-92-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C)Cl |
Product Overview
8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-chloro-3-methylphenyl)-8-methyl-, methyl ester, (1R,2S,3S,5S)- (CAS 150653-92-2), with molecular formula C17H22ClNO2 and molecular weight 307.13 g/mol. IUPAC: methyl (1R,2S,3S,5S)-3-(4-chloro-3-methylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate.
Chemical Property Profile of 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-chloro-3-methylphenyl)-8-methyl-, methyl ester, (1R,2S,3S,5S)-
Property Insights of 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-chloro-3-methylphenyl)-8-methyl-, methyl ester, (1R,2S,3S,5S)-
The XLogP value of 3.38772 indicates that 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-chloro-3-methylphenyl)-8-methyl-, methyl ester, (1R,2S,3S,5S)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-chloro-3-methylphenyl)-8-methyl-, methyl ester, (1R,2S,3S,5S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-chloro-3-methylphenyl)-8-methyl-, methyl ester, (1R,2S,3S,5S)- 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 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-chloro-3-methylphenyl)-8-methyl-, methyl ester, (1R,2S,3S,5S)-?
The CAS number of 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-chloro-3-methylphenyl)-8-methyl-, methyl ester, (1R,2S,3S,5S)- is 150653-92-2.
What is the molecular formula of 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-chloro-3-methylphenyl)-8-methyl-, methyl ester, (1R,2S,3S,5S)-?
The molecular formula of 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-chloro-3-methylphenyl)-8-methyl-, methyl ester, (1R,2S,3S,5S)- is C17H22ClNO2.
What is the molecular weight of 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-chloro-3-methylphenyl)-8-methyl-, methyl ester, (1R,2S,3S,5S)-?
The molecular weight of 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-chloro-3-methylphenyl)-8-methyl-, methyl ester, (1R,2S,3S,5S)- is 307.13 g/mol.
Where can I buy 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-chloro-3-methylphenyl)-8-methyl-, methyl ester, (1R,2S,3S,5S)-?
You can request a quote for 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-chloro-3-methylphenyl)-8-methyl-, methyl ester, (1R,2S,3S,5S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-chloro-3-methylphenyl)-8-methyl-, methyl ester, (1R,2S,3S,5S)-?
Yes, KEHONG BIO provides custom synthesis services for 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-chloro-3-methylphenyl)-8-methyl-, methyl ester, (1R,2S,3S,5S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.