2-(Cyclohexylamino)propyl benzoate
TL;DR: 2-(Cyclohexylamino)propyl benzoate (CAS 33812-52-1) is a chemical compound with molecular formula C16H23NO2 and molecular weight 261.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(cyclohexylamino)propyl benzoate
Also Known As: 2-(cyclohexylamino)propyl benzoate, Benzoic acid, 2-(cyclohexylamino)propyl ester, hydrochloride
| Molecular Formula | C16H23NO2 |
|---|---|
| Molecular Weight | 261.17 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 261.17288 |
| Heavy Atoms | 19 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 33812-52-1 |
|---|---|
| SMILES | CC(COC(=O)C1=CC=CC=C1)NC2CCCCC2 |
| InChIKey | VYOGAMNPDNSPEN-UHFFFAOYSA-N |
Product Overview
2-(Cyclohexylamino)propyl benzoate (CAS 33812-52-1), with molecular formula C16H23NO2 and molecular weight 261.17 g/mol. IUPAC: 2-(cyclohexylamino)propyl benzoate.
Chemical Property Profile of 2-(Cyclohexylamino)propyl benzoate
Property Insights of 2-(Cyclohexylamino)propyl benzoate
The XLogP value of 3.6 indicates that 2-(Cyclohexylamino)propyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 2-(Cyclohexylamino)propyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Cyclohexylamino)propyl benzoate 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 2-(Cyclohexylamino)propyl benzoate?
The CAS number of 2-(Cyclohexylamino)propyl benzoate is 33812-52-1.
What is the molecular formula of 2-(Cyclohexylamino)propyl benzoate?
The molecular formula of 2-(Cyclohexylamino)propyl benzoate is C16H23NO2.
What is the molecular weight of 2-(Cyclohexylamino)propyl benzoate?
The molecular weight of 2-(Cyclohexylamino)propyl benzoate is 261.17 g/mol.
Where can I buy 2-(Cyclohexylamino)propyl benzoate?
You can request a quote for 2-(Cyclohexylamino)propyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Cyclohexylamino)propyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Cyclohexylamino)propyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.