Ethyl 6-(benzoylamino)hexanoate
TL;DR: Ethyl 6-(benzoylamino)hexanoate (CAS 198705-39-4) is a chemical compound with molecular formula C15H21NO3 and molecular weight 263.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-benzamidohexanoate
Also Known As: ethyl 6-benzamidohexanoate, Ethyl 6-(benzoylamino)hexanoate, ethyl epsilon-benzamidocaproate, ethyl 6-(phenylformamido)hexanoate, Ethyl 6-(benzoylamino)hexanoate #
| Molecular Formula | C15H21NO3 |
|---|---|
| Molecular Weight | 263.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 263.15213 |
| Heavy Atoms | 19 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 198705-39-4 |
|---|---|
| SMILES | CCOC(=O)CCCCCNC(=O)C1=CC=CC=C1 |
| InChIKey | JXZTVZVTQRBNEN-UHFFFAOYSA-N |
Product Overview
Ethyl 6-(benzoylamino)hexanoate (CAS 198705-39-4), with molecular formula C15H21NO3 and molecular weight 263.15 g/mol. IUPAC: ethyl 6-benzamidohexanoate.
Chemical Property Profile of Ethyl 6-(benzoylamino)hexanoate
Property Insights of Ethyl 6-(benzoylamino)hexanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-(benzoylamino)hexanoate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 6-(benzoylamino)hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6-(benzoylamino)hexanoate 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 Ethyl 6-(benzoylamino)hexanoate?
The CAS number of Ethyl 6-(benzoylamino)hexanoate is 198705-39-4.
What is the molecular formula of Ethyl 6-(benzoylamino)hexanoate?
The molecular formula of Ethyl 6-(benzoylamino)hexanoate is C15H21NO3.
What is the molecular weight of Ethyl 6-(benzoylamino)hexanoate?
The molecular weight of Ethyl 6-(benzoylamino)hexanoate is 263.15 g/mol.
Where can I buy Ethyl 6-(benzoylamino)hexanoate?
You can request a quote for Ethyl 6-(benzoylamino)hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-(benzoylamino)hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-(benzoylamino)hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.