Benzoic acid, 2-(cyclopentylamino)butyl ester, hydrochloride
TL;DR: Benzoic acid, 2-(cyclopentylamino)butyl ester, hydrochloride (CAS 67032-23-9) is a chemical compound with molecular formula C16H24ClNO2 and molecular weight 297.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzoyloxybutan-2-yl(cyclopentyl)azanium chloride
Also Known As: 1-benzoyloxybutan-2-yl(cyclopentyl)azanium chloride, BENZOIC ACID, 2-(CYCLOPENTYLAMINO)BUTYL ESTER, HYDROCHLORIDE, 1-benzoyloxybutan-2-yl-cyclopentyl-azanium Chloride, 1-Butanol, 2-(cyclopentylamino)-, benzoate (ester), hydrochloride, RefChem:1078966
| Molecular Formula | C16H24ClNO2 |
|---|---|
| Molecular Weight | 297.15 g/mol |
| LogP | -0.87 |
| Topological Polar Surface Area | 42.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 297.14957 |
| Heavy Atoms | 20 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 67032-23-9 |
|---|---|
| SMILES | CCC(COC(=O)C1=CC=CC=C1)[NH2+]C2CCCC2.[Cl-] |
| InChIKey | XNFIHZRAKBQJKQ-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-(cyclopentylamino)butyl ester, hydrochloride (CAS 67032-23-9), with molecular formula C16H24ClNO2 and molecular weight 297.15 g/mol. IUPAC: 1-benzoyloxybutan-2-yl(cyclopentyl)azanium chloride.
Chemical Property Profile of Benzoic acid, 2-(cyclopentylamino)butyl ester, hydrochloride
Property Insights of Benzoic acid, 2-(cyclopentylamino)butyl ester, hydrochloride
The XLogP value of -0.87 indicates that Benzoic acid, 2-(cyclopentylamino)butyl ester, hydrochloride 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, Benzoic acid, 2-(cyclopentylamino)butyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-(cyclopentylamino)butyl ester, hydrochloride 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 Benzoic acid, 2-(cyclopentylamino)butyl ester, hydrochloride?
The CAS number of Benzoic acid, 2-(cyclopentylamino)butyl ester, hydrochloride is 67032-23-9.
What is the molecular formula of Benzoic acid, 2-(cyclopentylamino)butyl ester, hydrochloride?
The molecular formula of Benzoic acid, 2-(cyclopentylamino)butyl ester, hydrochloride is C16H24ClNO2.
What is the molecular weight of Benzoic acid, 2-(cyclopentylamino)butyl ester, hydrochloride?
The molecular weight of Benzoic acid, 2-(cyclopentylamino)butyl ester, hydrochloride is 297.15 g/mol.
Where can I buy Benzoic acid, 2-(cyclopentylamino)butyl ester, hydrochloride?
You can request a quote for Benzoic acid, 2-(cyclopentylamino)butyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-(cyclopentylamino)butyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(cyclopentylamino)butyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.