Octyl 6-aminocaproate
TL;DR: Octyl 6-aminocaproate (CAS 75980-37-9) is a chemical compound with molecular formula C14H29NO2 and molecular weight 243.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 6-aminohexanoate
Also Known As: Octyl 6-aminocaproate, octyl 6-aminohexanoate, OCEAC, Octyl epsilon-aminocaproate, 6-Aminohexanoic acid octyl ester
| Molecular Formula | C14H29NO2 |
|---|---|
| Molecular Weight | 243.22 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 243.21983 |
| Heavy Atoms | 17 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 75980-37-9 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CCCCCN |
| InChIKey | RWQXXPMKLWJWEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octyl 6-aminocaproate (CAS 75980-37-9), with molecular formula C14H29NO2 and molecular weight 243.22 g/mol. IUPAC: octyl 6-aminohexanoate.
Chemical Property Profile of Octyl 6-aminocaproate
Property Insights of Octyl 6-aminocaproate
The XLogP value of 3.6 indicates that Octyl 6-aminocaproate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, Octyl 6-aminocaproate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl 6-aminocaproate 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 Octyl 6-aminocaproate?
The CAS number of Octyl 6-aminocaproate is 75980-37-9.
What is the molecular formula of Octyl 6-aminocaproate?
The molecular formula of Octyl 6-aminocaproate is C14H29NO2.
What is the molecular weight of Octyl 6-aminocaproate?
The molecular weight of Octyl 6-aminocaproate is 243.22 g/mol.
Where can I buy Octyl 6-aminocaproate?
You can request a quote for Octyl 6-aminocaproate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl 6-aminocaproate?
Yes, KEHONG BIO provides custom synthesis services for Octyl 6-aminocaproate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.