![2-[3-(4-Ethoxy-phenyl)-thioureido]-6-methyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester structure](/static/products/840/840485-74-7.png)
2-[3-(4-Ethoxy-phenyl)-thioureido]-6-methyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester
TL;DR: 2-[3-(4-Ethoxy-phenyl)-thioureido]-6-methyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester (CAS 840485-74-7) is a chemical compound with molecular formula C20H25N3O3S2 and molecular weight 419.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-ethoxyphenyl)carbamothioylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Also Known As: 2-[3-(4-Ethoxy-phenyl)-thioureido]-6-methyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester, ethyl 2-(3-(4-ethoxyphenyl)thioureido)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate, ethyl 2-[(4-ethoxyphenyl)carbamothioylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate, ethyl 2-{[(4-ethoxyphenyl)carbamothioyl]amino}-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
| Molecular Formula | C20H25N3O3S2 |
|---|---|
| Molecular Weight | 419.13 g/mol |
| LogP | 4.1203 |
| Topological Polar Surface Area | 62.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.13373 |
| Heavy Atoms | 28 |
| Complexity | 849.126 |
Chemical Identifiers
| CAS Number | 840485-74-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=S)NC2=C(C3=C(S2)CN(CC3)C)C(=O)OCC |
Product Overview
2-[3-(4-Ethoxy-phenyl)-thioureido]-6-methyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester (CAS 840485-74-7), with molecular formula C20H25N3O3S2 and molecular weight 419.13 g/mol. IUPAC: ethyl 2-[(4-ethoxyphenyl)carbamothioylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
Chemical Property Profile of 2-[3-(4-Ethoxy-phenyl)-thioureido]-6-methyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester
Property Insights of 2-[3-(4-Ethoxy-phenyl)-thioureido]-6-methyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester
The XLogP value of 4.1203 indicates that 2-[3-(4-Ethoxy-phenyl)-thioureido]-6-methyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(4-Ethoxy-phenyl)-thioureido]-6-methyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 2-[3-(4-Ethoxy-phenyl)-thioureido]-6-methyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester has 2 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 2-[3-(4-Ethoxy-phenyl)-thioureido]-6-methyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester?
The CAS number of 2-[3-(4-Ethoxy-phenyl)-thioureido]-6-methyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester is 840485-74-7.
What is the molecular formula of 2-[3-(4-Ethoxy-phenyl)-thioureido]-6-methyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester?
The molecular formula of 2-[3-(4-Ethoxy-phenyl)-thioureido]-6-methyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester is C20H25N3O3S2.
What is the molecular weight of 2-[3-(4-Ethoxy-phenyl)-thioureido]-6-methyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester?
The molecular weight of 2-[3-(4-Ethoxy-phenyl)-thioureido]-6-methyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester is 419.13 g/mol.
Where can I buy 2-[3-(4-Ethoxy-phenyl)-thioureido]-6-methyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester?
You can request a quote for 2-[3-(4-Ethoxy-phenyl)-thioureido]-6-methyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(4-Ethoxy-phenyl)-thioureido]-6-methyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(4-Ethoxy-phenyl)-thioureido]-6-methyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.