Benzoic acid, p-pentyloxy-, 2-diethylaminoethyl ester, hydrochloride
TL;DR: Benzoic acid, p-pentyloxy-, 2-diethylaminoethyl ester, hydrochloride (CAS 20545-86-2) is a chemical compound with molecular formula C18H30ClNO3 and molecular weight 343.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-(4-pentoxybenzoyl)oxyethyl]azanium chloride
Also Known As: p-Pentyloxybenzoic acid 2-diethylaminoethyl ester hydrochloride, BENZOIC ACID, p-PENTYLOXY-, 2-DIETHYLAMINOETHYL ESTER, HYDROCHLORIDE, diethyl-[2-(4-pentoxybenzoyl)oxyethyl]azanium chloride, RefChem:1079326
| Molecular Formula | C18H30ClNO3 |
|---|---|
| Molecular Weight | 343.19 g/mol |
| LogP | -0.66 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 343.1914 |
| Heavy Atoms | 23 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 20545-86-2 |
|---|---|
| SMILES | CCCCCOC1=CC=C(C=C1)C(=O)OCC[NH+](CC)CC.[Cl-] |
| InChIKey | SYGBDNSDXWYOMX-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-pentyloxy-, 2-diethylaminoethyl ester, hydrochloride (CAS 20545-86-2), with molecular formula C18H30ClNO3 and molecular weight 343.19 g/mol. IUPAC: diethyl-[2-(4-pentoxybenzoyl)oxyethyl]azanium chloride.
Chemical Property Profile of Benzoic acid, p-pentyloxy-, 2-diethylaminoethyl ester, hydrochloride
Property Insights of Benzoic acid, p-pentyloxy-, 2-diethylaminoethyl ester, hydrochloride
The XLogP value of -0.66 indicates that Benzoic acid, p-pentyloxy-, 2-diethylaminoethyl ester, hydrochloride 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, p-pentyloxy-, 2-diethylaminoethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-pentyloxy-, 2-diethylaminoethyl ester, hydrochloride 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, p-pentyloxy-, 2-diethylaminoethyl ester, hydrochloride?
The CAS number of Benzoic acid, p-pentyloxy-, 2-diethylaminoethyl ester, hydrochloride is 20545-86-2.
What is the molecular formula of Benzoic acid, p-pentyloxy-, 2-diethylaminoethyl ester, hydrochloride?
The molecular formula of Benzoic acid, p-pentyloxy-, 2-diethylaminoethyl ester, hydrochloride is C18H30ClNO3.
What is the molecular weight of Benzoic acid, p-pentyloxy-, 2-diethylaminoethyl ester, hydrochloride?
The molecular weight of Benzoic acid, p-pentyloxy-, 2-diethylaminoethyl ester, hydrochloride is 343.19 g/mol.
Where can I buy Benzoic acid, p-pentyloxy-, 2-diethylaminoethyl ester, hydrochloride?
You can request a quote for Benzoic acid, p-pentyloxy-, 2-diethylaminoethyl 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-pentyloxy-, 2-diethylaminoethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-pentyloxy-, 2-diethylaminoethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.