cis-2-Aminocycloheptanecarboxylic acid methyl ester
TL;DR: cis-2-Aminocycloheptanecarboxylic acid methyl ester (CAS 362492-03-3) is a chemical compound with molecular formula C9H17NO2 and molecular weight 171.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-methyl (1R,2S)-2-aminocycloheptane-1-carboxylate
Also Known As: methyl (1R,2S)-2-aminocycloheptane-1-carboxylate, cis-2-aminocycloheptanecarboxylic acid methyl ester, Methyl 2-aminocycloheptane-1-carboxylate, J1.995.347E, rac-methyl (1R,2S)-2-aminocycloheptane-1-carboxylate
| Molecular Formula | C9H17NO2 |
|---|---|
| Molecular Weight | 171.13 g/mol |
| LogP | 1.067 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.12593 |
| Heavy Atoms | 12 |
| Complexity | 158.60753 |
Chemical Identifiers
| CAS Number | 362492-03-3 |
|---|---|
| SMILES | COC(=O)[C@@H]1CCCCC[C@@H]1N |
Product Overview
cis-2-Aminocycloheptanecarboxylic acid methyl ester (CAS 362492-03-3), with molecular formula C9H17NO2 and molecular weight 171.13 g/mol. IUPAC: cis-methyl (1R,2S)-2-aminocycloheptane-1-carboxylate.
Chemical Property Profile of cis-2-Aminocycloheptanecarboxylic acid methyl ester
Property Insights of cis-2-Aminocycloheptanecarboxylic acid methyl ester
The XLogP value of 1.067 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-2-Aminocycloheptanecarboxylic acid methyl ester. With a topological polar surface area (TPSA) of 52.32 Ų, cis-2-Aminocycloheptanecarboxylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-2-Aminocycloheptanecarboxylic acid methyl ester has 1 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 cis-2-Aminocycloheptanecarboxylic acid methyl ester?
The CAS number of cis-2-Aminocycloheptanecarboxylic acid methyl ester is 362492-03-3.
What is the molecular formula of cis-2-Aminocycloheptanecarboxylic acid methyl ester?
The molecular formula of cis-2-Aminocycloheptanecarboxylic acid methyl ester is C9H17NO2.
What is the molecular weight of cis-2-Aminocycloheptanecarboxylic acid methyl ester?
The molecular weight of cis-2-Aminocycloheptanecarboxylic acid methyl ester is 171.13 g/mol.
Where can I buy cis-2-Aminocycloheptanecarboxylic acid methyl ester?
You can request a quote for cis-2-Aminocycloheptanecarboxylic 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 cis-2-Aminocycloheptanecarboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for cis-2-Aminocycloheptanecarboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.