Benzyl 6-aminohexanoate
TL;DR: Benzyl 6-aminohexanoate (CAS 5515-00-4) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 6-aminohexanoate
Also Known As: Benzyl 6-aminohexanoate, Benzyl6-aminohexanoate, benzyl epsilon-aminocaproate, benzyl 6-aminohexanoate hydrochloride, 6-aminohexanoic acid benzyl ester
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 2.2489 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 298.06073 |
Chemical Identifiers
| CAS Number | 5515-00-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CCCCCN |
Product Overview
Benzyl 6-aminohexanoate (CAS 5515-00-4), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: benzyl 6-aminohexanoate.
Chemical Property Profile of Benzyl 6-aminohexanoate
Property Insights of Benzyl 6-aminohexanoate
The XLogP value of 2.2489 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 6-aminohexanoate. With a topological polar surface area (TPSA) of 52.32 Ų, Benzyl 6-aminohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 6-aminohexanoate 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 Benzyl 6-aminohexanoate?
The CAS number of Benzyl 6-aminohexanoate is 5515-00-4.
What is the molecular formula of Benzyl 6-aminohexanoate?
The molecular formula of Benzyl 6-aminohexanoate is C13H19NO2.
What is the molecular weight of Benzyl 6-aminohexanoate?
The molecular weight of Benzyl 6-aminohexanoate is 221.14 g/mol.
Where can I buy Benzyl 6-aminohexanoate?
You can request a quote for Benzyl 6-aminohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 6-aminohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 6-aminohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.