Benzoic acid, 2-(isopropylamino)butyl ester, hydrochloride
TL;DR: Benzoic acid, 2-(isopropylamino)butyl ester, hydrochloride (CAS 67032-13-7) is a chemical compound with molecular formula C14H22ClNO2 and molecular weight 271.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzoyloxybutan-2-yl(propan-2-yl)azanium chloride
Also Known As: BENZOIC ACID, 2-(ISOPROPYLAMINO)BUTYL ESTER, HYDROCHLORIDE, 1-benzoyloxybutan-2-yl(propan-2-yl)azanium chloride, 1-Butanol, 2-[(1-methylethyl)amino]-, benzoate (ester), hydrochloride, RefChem:1078970
| Molecular Formula | C14H22ClNO2 |
|---|---|
| Molecular Weight | 271.13 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 42.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 271.1339 |
| Heavy Atoms | 18 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 67032-13-7 |
|---|---|
| SMILES | CCC(COC(=O)C1=CC=CC=C1)[NH2+]C(C)C.[Cl-] |
| InChIKey | MKRYTLREBOHTGD-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-(isopropylamino)butyl ester, hydrochloride (CAS 67032-13-7), with molecular formula C14H22ClNO2 and molecular weight 271.13 g/mol. IUPAC: 1-benzoyloxybutan-2-yl(propan-2-yl)azanium chloride.
Chemical Property Profile of Benzoic acid, 2-(isopropylamino)butyl ester, hydrochloride
Property Insights of Benzoic acid, 2-(isopropylamino)butyl ester, hydrochloride
The XLogP value of -1.4 indicates that Benzoic acid, 2-(isopropylamino)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-(isopropylamino)butyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-(isopropylamino)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-(isopropylamino)butyl ester, hydrochloride?
The CAS number of Benzoic acid, 2-(isopropylamino)butyl ester, hydrochloride is 67032-13-7.
What is the molecular formula of Benzoic acid, 2-(isopropylamino)butyl ester, hydrochloride?
The molecular formula of Benzoic acid, 2-(isopropylamino)butyl ester, hydrochloride is C14H22ClNO2.
What is the molecular weight of Benzoic acid, 2-(isopropylamino)butyl ester, hydrochloride?
The molecular weight of Benzoic acid, 2-(isopropylamino)butyl ester, hydrochloride is 271.13 g/mol.
Where can I buy Benzoic acid, 2-(isopropylamino)butyl ester, hydrochloride?
You can request a quote for Benzoic acid, 2-(isopropylamino)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-(isopropylamino)butyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(isopropylamino)butyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.