2-(Cyclohexylamino)butyl benzoate--hydrogen chloride (1/1)
TL;DR: 2-(Cyclohexylamino)butyl benzoate--hydrogen chloride (1/1) (CAS 67032-55-7) is a chemical compound with molecular formula C17H26ClNO2 and molecular weight 311.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzoyloxybutan-2-yl(cyclohexyl)azanium chloride
Also Known As: BENZOIC ACID, 2-(CYCLOHEXYLAMINO)BUTYL ESTER, HYDROCHLORIDE, 1-benzoyloxybutan-2-yl(cyclohexyl)azanium chloride, 2-(Cyclohexylamino)butyl benzoate--hydrogen chloride (1/1), 1-Butanol, 2-(cyclohexylamino)-, benzoate (ester), hydrochloride, RefChem:1061533
| Molecular Formula | C17H26ClNO2 |
|---|---|
| Molecular Weight | 311.17 g/mol |
| LogP | -0.48 |
| Topological Polar Surface Area | 42.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 311.1652 |
| Heavy Atoms | 21 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 67032-55-7 |
|---|---|
| SMILES | CCC(COC(=O)C1=CC=CC=C1)[NH2+]C2CCCCC2.[Cl-] |
| InChIKey | KELGXWQSYAMGFA-UHFFFAOYSA-N |
Product Overview
2-(Cyclohexylamino)butyl benzoate--hydrogen chloride (1/1) (CAS 67032-55-7), with molecular formula C17H26ClNO2 and molecular weight 311.17 g/mol. IUPAC: 1-benzoyloxybutan-2-yl(cyclohexyl)azanium chloride.
Chemical Property Profile of 2-(Cyclohexylamino)butyl benzoate--hydrogen chloride (1/1)
Property Insights of 2-(Cyclohexylamino)butyl benzoate--hydrogen chloride (1/1)
The XLogP value of -0.48 indicates that 2-(Cyclohexylamino)butyl benzoate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.9 Ų, 2-(Cyclohexylamino)butyl benzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Cyclohexylamino)butyl benzoate--hydrogen chloride (1/1) 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)butyl benzoate--hydrogen chloride (1/1)?
The CAS number of 2-(Cyclohexylamino)butyl benzoate--hydrogen chloride (1/1) is 67032-55-7.
What is the molecular formula of 2-(Cyclohexylamino)butyl benzoate--hydrogen chloride (1/1)?
The molecular formula of 2-(Cyclohexylamino)butyl benzoate--hydrogen chloride (1/1) is C17H26ClNO2.
What is the molecular weight of 2-(Cyclohexylamino)butyl benzoate--hydrogen chloride (1/1)?
The molecular weight of 2-(Cyclohexylamino)butyl benzoate--hydrogen chloride (1/1) is 311.17 g/mol.
Where can I buy 2-(Cyclohexylamino)butyl benzoate--hydrogen chloride (1/1)?
You can request a quote for 2-(Cyclohexylamino)butyl benzoate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Cyclohexylamino)butyl benzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-(Cyclohexylamino)butyl benzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.