3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(diethylamino)ethyl ester
TL;DR: 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(diethylamino)ethyl ester (CAS 78033-85-9) is a chemical compound with molecular formula C20H26N2O3S and molecular weight 374.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2-benzamido-4,5-dimethylthiophene-3-carboxylate
Also Known As: 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(diethylamino)ethyl ester, 2-(Diethylamino)ethyl 2-(benzoylamino)-4,5-dimethyl-3-thiophenecarboxylate, 2-(diethylamino)ethyl 2-benzamido-4,5-dimethylthiophene-3-carboxylate, 2-(diethylamino)ethyl 2-benzamido-4,5-dimethylthiophene-3-ca, 2-diethylaminoethyl 2-benzamido-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C20H26N2O3S |
|---|---|
| Molecular Weight | 374.17 g/mol |
| LogP | 4.11584 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 374.1664 |
| Heavy Atoms | 26 |
| Complexity | 751.9168 |
Chemical Identifiers
| CAS Number | 78033-85-9 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC=CC=C2 |
Product Overview
3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(diethylamino)ethyl ester (CAS 78033-85-9), with molecular formula C20H26N2O3S and molecular weight 374.17 g/mol. IUPAC: 2-(diethylamino)ethyl 2-benzamido-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(diethylamino)ethyl ester
Property Insights of 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(diethylamino)ethyl ester
The XLogP value of 4.11584 indicates that 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(diethylamino)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(diethylamino)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(diethylamino)ethyl ester has 1 hydrogen bond donor(s) and 5 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 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(diethylamino)ethyl ester?
The CAS number of 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(diethylamino)ethyl ester is 78033-85-9.
What is the molecular formula of 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(diethylamino)ethyl ester?
The molecular formula of 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(diethylamino)ethyl ester is C20H26N2O3S.
What is the molecular weight of 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(diethylamino)ethyl ester?
The molecular weight of 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(diethylamino)ethyl ester is 374.17 g/mol.
Where can I buy 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(diethylamino)ethyl ester?
You can request a quote for 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(diethylamino)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(diethylamino)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(diethylamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.