Benzoic acid, p-amino-, (2-(isopropylamino)-1-methyl)ethyl ester, hydrochloride
TL;DR: Benzoic acid, p-amino-, (2-(isopropylamino)-1-methyl)ethyl ester, hydrochloride (CAS 69781-17-5) is a chemical compound with molecular formula C13H21ClN2O2 and molecular weight 272.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-aminobenzoyl)oxypropyl-propan-2-ylazanium chloride
Also Known As: p-Aminobenzoic acid (2-(isopropylamino)-1-methyl)ethyl ester hydrochloride, BENZOIC ACID, p-AMINO-, (2-(ISOPROPYLAMINO)-1-METHYL)ETHYL ESTER, HYDROCHLORIDE, 2-(4-aminobenzoyl)oxypropyl-propan-2-ylazanium chloride, RefChem:327866
| Molecular Formula | C13H21ClN2O2 |
|---|---|
| Molecular Weight | 272.13 g/mol |
| LogP | -2.21 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 272.12915 |
| Heavy Atoms | 18 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 69781-17-5 |
|---|---|
| SMILES | CC(C)[NH2+]CC(C)OC(=O)C1=CC=C(C=C1)N.[Cl-] |
| InChIKey | YAINMCNNAMZKGB-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-amino-, (2-(isopropylamino)-1-methyl)ethyl ester, hydrochloride (CAS 69781-17-5), with molecular formula C13H21ClN2O2 and molecular weight 272.13 g/mol. IUPAC: 2-(4-aminobenzoyl)oxypropyl-propan-2-ylazanium chloride.
Chemical Property Profile of Benzoic acid, p-amino-, (2-(isopropylamino)-1-methyl)ethyl ester, hydrochloride
Property Insights of Benzoic acid, p-amino-, (2-(isopropylamino)-1-methyl)ethyl ester, hydrochloride
The XLogP value of -2.21 indicates that Benzoic acid, p-amino-, (2-(isopropylamino)-1-methyl)ethyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, p-amino-, (2-(isopropylamino)-1-methyl)ethyl ester, hydrochloride. Following Lipinski's Rule of Five, Benzoic acid, p-amino-, (2-(isopropylamino)-1-methyl)ethyl ester, hydrochloride has 2 hydrogen bond donor(s) and 4 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, p-amino-, (2-(isopropylamino)-1-methyl)ethyl ester, hydrochloride?
The CAS number of Benzoic acid, p-amino-, (2-(isopropylamino)-1-methyl)ethyl ester, hydrochloride is 69781-17-5.
What is the molecular formula of Benzoic acid, p-amino-, (2-(isopropylamino)-1-methyl)ethyl ester, hydrochloride?
The molecular formula of Benzoic acid, p-amino-, (2-(isopropylamino)-1-methyl)ethyl ester, hydrochloride is C13H21ClN2O2.
What is the molecular weight of Benzoic acid, p-amino-, (2-(isopropylamino)-1-methyl)ethyl ester, hydrochloride?
The molecular weight of Benzoic acid, p-amino-, (2-(isopropylamino)-1-methyl)ethyl ester, hydrochloride is 272.13 g/mol.
Where can I buy Benzoic acid, p-amino-, (2-(isopropylamino)-1-methyl)ethyl ester, hydrochloride?
You can request a quote for Benzoic acid, p-amino-, (2-(isopropylamino)-1-methyl)ethyl 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, p-amino-, (2-(isopropylamino)-1-methyl)ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-amino-, (2-(isopropylamino)-1-methyl)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.