![2-Benzofurancarboxylic acid, 3-methyl-, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI) structure](/static/products/588/588712-96-3.png)
2-Benzofurancarboxylic acid, 3-methyl-, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI)
TL;DR: 2-Benzofurancarboxylic acid, 3-methyl-, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI) (CAS 588712-96-3) is a chemical compound with molecular formula C20H21N3O4S2 and molecular weight 431.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-ethyl-5-methyl-2-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamothioylamino]thiophene-3-carboxylate
Also Known As: 2-Benzofurancarboxylic acid, 3-methyl-, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI), methyl 4-ethyl-5-methyl-2-[({[(3-methylbenzo[d]furan-2-yl)carbonylamino]amino} thioxomethyl)amino]thiophene-3-carboxylate, methyl 4-ethyl-5-methyl-2-[({2-[(3-methyl-1-benzofuran-2-yl)carbonyl]hydrazinyl}carbonothioyl)amino]thiophene-3-carboxylate, methyl 4-ethyl-5-methyl-2-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamothioylamino]thiophene-3-carboxylate
| Molecular Formula | C20H21N3O4S2 |
|---|---|
| Molecular Weight | 431.10 g/mol |
| LogP | 4.09154 |
| Topological Polar Surface Area | 92.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.09735 |
| Heavy Atoms | 29 |
| Complexity | 1100.7802 |
Chemical Identifiers
| CAS Number | 588712-96-3 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3O2)C)C |
Product Overview
2-Benzofurancarboxylic acid, 3-methyl-, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI) (CAS 588712-96-3), with molecular formula C20H21N3O4S2 and molecular weight 431.10 g/mol. IUPAC: methyl 4-ethyl-5-methyl-2-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamothioylamino]thiophene-3-carboxylate.
Chemical Property Profile of 2-Benzofurancarboxylic acid, 3-methyl-, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI)
Property Insights of 2-Benzofurancarboxylic acid, 3-methyl-, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI)
The XLogP value of 4.09154 indicates that 2-Benzofurancarboxylic acid, 3-methyl-, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzofurancarboxylic acid, 3-methyl-, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI). Following Lipinski's Rule of Five, 2-Benzofurancarboxylic acid, 3-methyl-, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI) has 3 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-Benzofurancarboxylic acid, 3-methyl-, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI)?
The CAS number of 2-Benzofurancarboxylic acid, 3-methyl-, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI) is 588712-96-3.
What is the molecular formula of 2-Benzofurancarboxylic acid, 3-methyl-, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI)?
The molecular formula of 2-Benzofurancarboxylic acid, 3-methyl-, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI) is C20H21N3O4S2.
What is the molecular weight of 2-Benzofurancarboxylic acid, 3-methyl-, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI)?
The molecular weight of 2-Benzofurancarboxylic acid, 3-methyl-, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI) is 431.10 g/mol.
Where can I buy 2-Benzofurancarboxylic acid, 3-methyl-, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI)?
You can request a quote for 2-Benzofurancarboxylic acid, 3-methyl-, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzofurancarboxylic acid, 3-methyl-, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI)?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzofurancarboxylic acid, 3-methyl-, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.