Methyl 2-(4-aminocyclohexyl)acetate
TL;DR: Methyl 2-(4-aminocyclohexyl)acetate (CAS 76308-14-0) 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.
methyl 2-(4-aminocyclohexyl)acetate
Also Known As: Methyl 2-(4-aminocyclohexyl)acetate, (4-AMINO-CYCLOHEXYL)-ACETIC ACID METHYL ESTER, -ACETICACIDMETHYLESTER, Methyl (4-aminocyclohexyl)acetate, Methyl trans-4-aminocyclohexaneacetate
| 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 | 2 |
| Exact Mass | 171.12593 |
| Heavy Atoms | 12 |
| Complexity | 150.60753 |
Chemical Identifiers
| CAS Number | 76308-14-0 |
|---|---|
| SMILES | COC(=O)CC1CCC(CC1)N |
Product Overview
Methyl 2-(4-aminocyclohexyl)acetate (CAS 76308-14-0), with molecular formula C9H17NO2 and molecular weight 171.13 g/mol. IUPAC: methyl 2-(4-aminocyclohexyl)acetate.
Chemical Property Profile of Methyl 2-(4-aminocyclohexyl)acetate
Property Insights of Methyl 2-(4-aminocyclohexyl)acetate
The XLogP value of 1.067 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(4-aminocyclohexyl)acetate. With a topological polar surface area (TPSA) of 52.32 Ų, Methyl 2-(4-aminocyclohexyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(4-aminocyclohexyl)acetate 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 Methyl 2-(4-aminocyclohexyl)acetate?
The CAS number of Methyl 2-(4-aminocyclohexyl)acetate is 76308-14-0.
What is the molecular formula of Methyl 2-(4-aminocyclohexyl)acetate?
The molecular formula of Methyl 2-(4-aminocyclohexyl)acetate is C9H17NO2.
What is the molecular weight of Methyl 2-(4-aminocyclohexyl)acetate?
The molecular weight of Methyl 2-(4-aminocyclohexyl)acetate is 171.13 g/mol.
Where can I buy Methyl 2-(4-aminocyclohexyl)acetate?
You can request a quote for Methyl 2-(4-aminocyclohexyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(4-aminocyclohexyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(4-aminocyclohexyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.