3-Thiophenecarboxylic acid, 2-(benzoylamino)-4-phenyl-, 2-(dimethylamino)ethyl ester, monohydrochloride
TL;DR: 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4-phenyl-, 2-(dimethylamino)ethyl ester, monohydrochloride (CAS 78033-92-8) is a chemical compound with molecular formula C22H23ClN2O3S and molecular weight 430.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 2-benzamido-4-phenylthiophene-3-carboxylate;hydrochloride
Also Known As: 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4-phenyl-, 2-(dimethylamino)ethyl ester, monohydrochloride, 2-(Benzoylamino)-4-phenyl-3-thiophenecarboxylic acid 2-(dimethylamino)ethyl ester HCl, 2-(Dimethylamino)ethyl 2-benzamido-4-phenylthiophene-3-carboxylate--hydrogen chloride (1/1), 2-dimethylaminoethyl 2-benzamido-4-phenylthiophene-3-carboxylate hydrochloride, RefChem:282778
| Molecular Formula | C22H23ClN2O3S |
|---|---|
| Molecular Weight | 430.11 g/mol |
| LogP | 4.8076 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.1118 |
| Heavy Atoms | 29 |
| Complexity | 943.20593 |
Chemical Identifiers
| CAS Number | 78033-92-8 |
|---|---|
| SMILES | CN(C)CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC=CC=C3.Cl |
Product Overview
3-Thiophenecarboxylic acid, 2-(benzoylamino)-4-phenyl-, 2-(dimethylamino)ethyl ester, monohydrochloride (CAS 78033-92-8), with molecular formula C22H23ClN2O3S and molecular weight 430.11 g/mol. IUPAC: 2-(dimethylamino)ethyl 2-benzamido-4-phenylthiophene-3-carboxylate;hydrochloride.
Chemical Property Profile of 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4-phenyl-, 2-(dimethylamino)ethyl ester, monohydrochloride
Property Insights of 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4-phenyl-, 2-(dimethylamino)ethyl ester, monohydrochloride
The XLogP value of 4.8076 indicates that 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4-phenyl-, 2-(dimethylamino)ethyl ester, monohydrochloride 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-phenyl-, 2-(dimethylamino)ethyl ester, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4-phenyl-, 2-(dimethylamino)ethyl ester, monohydrochloride 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-phenyl-, 2-(dimethylamino)ethyl ester, monohydrochloride?
The CAS number of 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4-phenyl-, 2-(dimethylamino)ethyl ester, monohydrochloride is 78033-92-8.
What is the molecular formula of 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4-phenyl-, 2-(dimethylamino)ethyl ester, monohydrochloride?
The molecular formula of 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4-phenyl-, 2-(dimethylamino)ethyl ester, monohydrochloride is C22H23ClN2O3S.
What is the molecular weight of 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4-phenyl-, 2-(dimethylamino)ethyl ester, monohydrochloride?
The molecular weight of 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4-phenyl-, 2-(dimethylamino)ethyl ester, monohydrochloride is 430.11 g/mol.
Where can I buy 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4-phenyl-, 2-(dimethylamino)ethyl ester, monohydrochloride?
You can request a quote for 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4-phenyl-, 2-(dimethylamino)ethyl ester, monohydrochloride 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-phenyl-, 2-(dimethylamino)ethyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4-phenyl-, 2-(dimethylamino)ethyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.