Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
TL;DR: Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) (CAS 13971-87-4) is a chemical compound with molecular formula C19H32ClNO3 and molecular weight 357.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-(4-hexoxybenzoyl)oxyethyl]azanium chloride
Also Known As: p-(Hexyloxy)benzoic acid 2-diethylaminoethyl ester hydrochloride, diethyl-[2-(4-hexoxybenzoyl)oxyethyl]azanium chloride, BENZOIC ACID, p-(HEXYLOXY)-, 2-DIETHYLAMINOETHYL ESTER, HYDROCHLORIDE, Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1), RefChem:1079146
| Molecular Formula | C19H32ClNO3 |
|---|---|
| Molecular Weight | 357.21 g/mol |
| LogP | -0.27 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 357.20706 |
| Heavy Atoms | 24 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 13971-87-4 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C=C1)C(=O)OCC[NH+](CC)CC.[Cl-] |
| InChIKey | AGSPNRLFZALZRV-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) (CAS 13971-87-4), with molecular formula C19H32ClNO3 and molecular weight 357.21 g/mol. IUPAC: diethyl-[2-(4-hexoxybenzoyl)oxyethyl]azanium chloride.
Chemical Property Profile of Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
Property Insights of Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
The XLogP value of -0.27 indicates that Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) has 1 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, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)?
The CAS number of Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) is 13971-87-4.
What is the molecular formula of Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)?
The molecular formula of Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) is C19H32ClNO3.
What is the molecular weight of Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)?
The molecular weight of Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) is 357.21 g/mol.
Where can I buy Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)?
You can request a quote for Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.