Benzoic acid, 3,4,5-trimethoxy-, 3-(diethylamino)propyl ester, hydrochloride
TL;DR: Benzoic acid, 3,4,5-trimethoxy-, 3-(diethylamino)propyl ester, hydrochloride (CAS 38243-81-1) is a chemical compound with molecular formula C17H28ClNO5 and molecular weight 361.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]azanium chloride
Also Known As: 3,4,5-Trimethoxybenzoic acid 3-(diethylamino)propyl ester hydrochloride, BENZOIC ACID, 3,4,5-TRIMETHOXY-, 3-(DIETHYLAMINO)PROPYL ESTER, HYDROCHLORIDE, Chlorowodorek estru gamma-N-dwuetyloaminopropylowego kwasu 3,4,5-trojmetylogalusowego, diethyl-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]azanium chloride, RefChem:1079016
| Molecular Formula | C17H28ClNO5 |
|---|---|
| Molecular Weight | 361.17 g/mol |
| LogP | -1.81 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 361.1656 |
| Heavy Atoms | 24 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 38243-81-1 |
|---|---|
| SMILES | CC[NH+](CC)CCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC.[Cl-] |
| InChIKey | QPNJWGTUHJAZAR-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3,4,5-trimethoxy-, 3-(diethylamino)propyl ester, hydrochloride (CAS 38243-81-1), with molecular formula C17H28ClNO5 and molecular weight 361.17 g/mol. IUPAC: diethyl-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]azanium chloride.
Chemical Property Profile of Benzoic acid, 3,4,5-trimethoxy-, 3-(diethylamino)propyl ester, hydrochloride
Property Insights of Benzoic acid, 3,4,5-trimethoxy-, 3-(diethylamino)propyl ester, hydrochloride
The XLogP value of -1.81 indicates that Benzoic acid, 3,4,5-trimethoxy-, 3-(diethylamino)propyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.4 Ų, Benzoic acid, 3,4,5-trimethoxy-, 3-(diethylamino)propyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3,4,5-trimethoxy-, 3-(diethylamino)propyl ester, hydrochloride has 1 hydrogen bond donor(s) and 6 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, 3,4,5-trimethoxy-, 3-(diethylamino)propyl ester, hydrochloride?
The CAS number of Benzoic acid, 3,4,5-trimethoxy-, 3-(diethylamino)propyl ester, hydrochloride is 38243-81-1.
What is the molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 3-(diethylamino)propyl ester, hydrochloride?
The molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 3-(diethylamino)propyl ester, hydrochloride is C17H28ClNO5.
What is the molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 3-(diethylamino)propyl ester, hydrochloride?
The molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 3-(diethylamino)propyl ester, hydrochloride is 361.17 g/mol.
Where can I buy Benzoic acid, 3,4,5-trimethoxy-, 3-(diethylamino)propyl ester, hydrochloride?
You can request a quote for Benzoic acid, 3,4,5-trimethoxy-, 3-(diethylamino)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, 3,4,5-trimethoxy-, 3-(diethylamino)propyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,4,5-trimethoxy-, 3-(diethylamino)propyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.