Methyl 2-(azepan-1-yl)acetate
TL;DR: Methyl 2-(azepan-1-yl)acetate (CAS 99065-22-2) 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-(azepan-1-yl)acetate
Also Known As: methyl 2-(azepan-1-yl)acetate, Azepan-1-yl-acetic acid, methyl ester, Methyl 2-(N-hexamethyleneimino)acetate, Methyl 2-(N-hexamethyleneimino)acetate, 97%
| Molecular Formula | C9H17NO2 |
|---|---|
| Molecular Weight | 171.13 g/mol |
| LogP | 1.0354 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.12593 |
| Heavy Atoms | 12 |
| Complexity | 139.46396 |
Chemical Identifiers
| CAS Number | 99065-22-2 |
|---|---|
| SMILES | COC(=O)CN1CCCCCC1 |
Product Overview
Methyl 2-(azepan-1-yl)acetate (CAS 99065-22-2), with molecular formula C9H17NO2 and molecular weight 171.13 g/mol. IUPAC: methyl 2-(azepan-1-yl)acetate.
Chemical Property Profile of Methyl 2-(azepan-1-yl)acetate
Property Insights of Methyl 2-(azepan-1-yl)acetate
The XLogP value of 1.0354 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(azepan-1-yl)acetate. With a topological polar surface area (TPSA) of 29.54 Ų, Methyl 2-(azepan-1-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(azepan-1-yl)acetate 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 Methyl 2-(azepan-1-yl)acetate?
The CAS number of Methyl 2-(azepan-1-yl)acetate is 99065-22-2.
What is the molecular formula of Methyl 2-(azepan-1-yl)acetate?
The molecular formula of Methyl 2-(azepan-1-yl)acetate is C9H17NO2.
What is the molecular weight of Methyl 2-(azepan-1-yl)acetate?
The molecular weight of Methyl 2-(azepan-1-yl)acetate is 171.13 g/mol.
Where can I buy Methyl 2-(azepan-1-yl)acetate?
You can request a quote for Methyl 2-(azepan-1-yl)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-(azepan-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(azepan-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.