3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(dimethylamino)ethyl ester
TL;DR: 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(dimethylamino)ethyl ester (CAS 78033-84-8) is a chemical compound with molecular formula C18H22N2O3S and molecular weight 346.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 2-benzamido-4,5-dimethylthiophene-3-carboxylate
Also Known As: 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(dimethylamino)ethyl ester, 2-(Dimethylamino)ethyl 2-(benzoylamino)-4,5-dimethyl-3-thiophenecarboxylate, 2-dimethylaminoethyl 2-benzamido-4,5-dimethylthiophene-3-carboxylate, 2-(Dimethylamino)ethyl 2-benzamido-4,5-dimethylthiophene-3-carboxylate, BRN 5123418
| Molecular Formula | C18H22N2O3S |
|---|---|
| Molecular Weight | 346.14 g/mol |
| LogP | 3.33564 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.1351 |
| Heavy Atoms | 24 |
| Complexity | 723.3652 |
Chemical Identifiers
| CAS Number | 78033-84-8 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OCCN(C)C)NC(=O)C2=CC=CC=C2)C |
Product Overview
3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(dimethylamino)ethyl ester (CAS 78033-84-8), with molecular formula C18H22N2O3S and molecular weight 346.14 g/mol. IUPAC: 2-(dimethylamino)ethyl 2-benzamido-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(dimethylamino)ethyl ester
Property Insights of 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(dimethylamino)ethyl ester
The XLogP value of 3.33564 indicates that 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(dimethylamino)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-(dimethylamino)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-(dimethylamino)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-(dimethylamino)ethyl ester?
The CAS number of 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(dimethylamino)ethyl ester is 78033-84-8.
What is the molecular formula of 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(dimethylamino)ethyl ester?
The molecular formula of 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(dimethylamino)ethyl ester is C18H22N2O3S.
What is the molecular weight of 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(dimethylamino)ethyl ester?
The molecular weight of 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(dimethylamino)ethyl ester is 346.14 g/mol.
Where can I buy 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(dimethylamino)ethyl ester?
You can request a quote for 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(dimethylamino)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-(dimethylamino)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-(dimethylamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.