Benzoic acid, p-amino-, (2-(isopentylamino)-2-methyl)propyl ester, hydrochloride
TL;DR: Benzoic acid, p-amino-, (2-(isopentylamino)-2-methyl)propyl ester, hydrochloride (CAS 69766-20-7) is a chemical compound with molecular formula C16H27ClN2O2 and molecular weight 314.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-aminobenzoyl)oxy-2-methylpropan-2-yl]-(3-methylbutyl)azanium chloride
Also Known As: Benzoic acid, p-amino-, (2-(isoamylamino)-2-methyl)propyl ester, hydrochloride, p-Aminobenzoic acid, (2,2-dimethyl-(2-isopentylamino))ethyl ester, hydrochloride, p-Aminobenzoic acid, (2-(isoamylamino)-2-methyl)propyl ester hydrochloride, p-Aminobenzoic acid (2-(isopentylamino)-2-methyl)propyl ester hydrochloride, Benzoic acid, p-amino-, (2,2-dimethyl-(2-isopentylamino))ethyl ester, hydrochloride
| Molecular Formula | C16H27ClN2O2 |
|---|---|
| Molecular Weight | 314.18 g/mol |
| LogP | -1.18 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 314.17612 |
| Heavy Atoms | 21 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 69766-20-7 |
|---|---|
| SMILES | CC(C)CC[NH2+]C(C)(C)COC(=O)C1=CC=C(C=C1)N.[Cl-] |
| InChIKey | NDNPSEIOXBDEJI-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-amino-, (2-(isopentylamino)-2-methyl)propyl ester, hydrochloride (CAS 69766-20-7), with molecular formula C16H27ClN2O2 and molecular weight 314.18 g/mol. IUPAC: [1-(4-aminobenzoyl)oxy-2-methylpropan-2-yl]-(3-methylbutyl)azanium chloride.
Chemical Property Profile of Benzoic acid, p-amino-, (2-(isopentylamino)-2-methyl)propyl ester, hydrochloride
Property Insights of Benzoic acid, p-amino-, (2-(isopentylamino)-2-methyl)propyl ester, hydrochloride
The XLogP value of -1.18 indicates that Benzoic acid, p-amino-, (2-(isopentylamino)-2-methyl)propyl 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-(isopentylamino)-2-methyl)propyl ester, hydrochloride. Following Lipinski's Rule of Five, Benzoic acid, p-amino-, (2-(isopentylamino)-2-methyl)propyl 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-(isopentylamino)-2-methyl)propyl ester, hydrochloride?
The CAS number of Benzoic acid, p-amino-, (2-(isopentylamino)-2-methyl)propyl ester, hydrochloride is 69766-20-7.
What is the molecular formula of Benzoic acid, p-amino-, (2-(isopentylamino)-2-methyl)propyl ester, hydrochloride?
The molecular formula of Benzoic acid, p-amino-, (2-(isopentylamino)-2-methyl)propyl ester, hydrochloride is C16H27ClN2O2.
What is the molecular weight of Benzoic acid, p-amino-, (2-(isopentylamino)-2-methyl)propyl ester, hydrochloride?
The molecular weight of Benzoic acid, p-amino-, (2-(isopentylamino)-2-methyl)propyl ester, hydrochloride is 314.18 g/mol.
Where can I buy Benzoic acid, p-amino-, (2-(isopentylamino)-2-methyl)propyl ester, hydrochloride?
You can request a quote for Benzoic acid, p-amino-, (2-(isopentylamino)-2-methyl)propyl 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-(isopentylamino)-2-methyl)propyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-amino-, (2-(isopentylamino)-2-methyl)propyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.