Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(2-thienyl)ethyl ester, hydrochloride
TL;DR: Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(2-thienyl)ethyl ester, hydrochloride (CAS 74007-86-6) is a chemical compound with molecular formula C21H30ClNO5S and molecular weight 443.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(diethylamino)-3-thiophen-2-ylpropan-2-yl] 3,4,5-trimethoxybenzoate;hydrochloride
Also Known As: Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(2-thienyl)ethyl ester, hydrochloride, 3,4,5-Trimethoxybenzoate ester of 1-(2-thienyl)-3-diethylamino-2-propanol hydrochloride, [1-(diethylamino)-3-thiophen-2-ylpropan-2-yl] 3,4,5-trimethoxybenzoate hydrochloride, 1-(Diethylamino)-3-(thiophen-2-yl)propan-2-yl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1), Benzoic acid, 3,4,5-trimethoxy-, 1-[(diethylamino)methyl]-2-(2-thienyl)ethyl ester, hydrochloride
| Molecular Formula | C21H30ClNO5S |
|---|---|
| Molecular Weight | 443.15 g/mol |
| LogP | 4.3056 |
| Topological Polar Surface Area | 57.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 443.15332 |
| Heavy Atoms | 29 |
| Complexity | 724.5298 |
Chemical Identifiers
| CAS Number | 74007-86-6 |
|---|---|
| SMILES | CCN(CC)CC(CC1=CC=CS1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl |
Product Overview
Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(2-thienyl)ethyl ester, hydrochloride (CAS 74007-86-6), with molecular formula C21H30ClNO5S and molecular weight 443.15 g/mol. IUPAC: [1-(diethylamino)-3-thiophen-2-ylpropan-2-yl] 3,4,5-trimethoxybenzoate;hydrochloride.
Chemical Property Profile of Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(2-thienyl)ethyl ester, hydrochloride
Property Insights of Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(2-thienyl)ethyl ester, hydrochloride
The XLogP value of 4.3056 indicates that Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(2-thienyl)ethyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.23 Ų, Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(2-thienyl)ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(2-thienyl)ethyl ester, hydrochloride has 0 hydrogen bond donor(s) and 7 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-, 1-((diethylamino)methyl)-2-(2-thienyl)ethyl ester, hydrochloride?
The CAS number of Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(2-thienyl)ethyl ester, hydrochloride is 74007-86-6.
What is the molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(2-thienyl)ethyl ester, hydrochloride?
The molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(2-thienyl)ethyl ester, hydrochloride is C21H30ClNO5S.
What is the molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(2-thienyl)ethyl ester, hydrochloride?
The molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(2-thienyl)ethyl ester, hydrochloride is 443.15 g/mol.
Where can I buy Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(2-thienyl)ethyl ester, hydrochloride?
You can request a quote for Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(2-thienyl)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, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(2-thienyl)ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(2-thienyl)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.