3-(4-Chlorophenyl)tropane-2-carboxylic acid methyl ester
TL;DR: 3-(4-Chlorophenyl)tropane-2-carboxylic acid methyl ester (CAS 130342-80-2) is a chemical compound with molecular formula C16H20ClNO2 and molecular weight 293.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Also Known As: Rti-coc-31, Rti-coc 31, 3-(4-Chlorophenyl)tropane-2-carboxylic acid methyl ester, METHYL (1R)-3-(4-CHLOROPHENYL)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLATE, methyl (5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
| Molecular Formula | C16H20ClNO2 |
|---|---|
| Molecular Weight | 293.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.11826 |
| Heavy Atoms | 20 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 130342-80-2 |
|---|---|
| SMILES | CN1[C@@H]2CCC1CC(C2C(=O)OC)C3=CC=C(C=C3)Cl |
| InChIKey | ZEOHVQFWFVMPGM-MIGSVPMKSA-N |
Product Overview
3-(4-Chlorophenyl)tropane-2-carboxylic acid methyl ester (CAS 130342-80-2), with molecular formula C16H20ClNO2 and molecular weight 293.12 g/mol. IUPAC: methyl (1R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate.
Chemical Property Profile of 3-(4-Chlorophenyl)tropane-2-carboxylic acid methyl ester
Property Insights of 3-(4-Chlorophenyl)tropane-2-carboxylic acid methyl ester
The XLogP value of 3.3 indicates that 3-(4-Chlorophenyl)tropane-2-carboxylic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 3-(4-Chlorophenyl)tropane-2-carboxylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)tropane-2-carboxylic acid methyl ester 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 3-(4-Chlorophenyl)tropane-2-carboxylic acid methyl ester?
The CAS number of 3-(4-Chlorophenyl)tropane-2-carboxylic acid methyl ester is 130342-80-2.
What is the molecular formula of 3-(4-Chlorophenyl)tropane-2-carboxylic acid methyl ester?
The molecular formula of 3-(4-Chlorophenyl)tropane-2-carboxylic acid methyl ester is C16H20ClNO2.
What is the molecular weight of 3-(4-Chlorophenyl)tropane-2-carboxylic acid methyl ester?
The molecular weight of 3-(4-Chlorophenyl)tropane-2-carboxylic acid methyl ester is 293.12 g/mol.
Where can I buy 3-(4-Chlorophenyl)tropane-2-carboxylic acid methyl ester?
You can request a quote for 3-(4-Chlorophenyl)tropane-2-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)tropane-2-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)tropane-2-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.