![Benzoic acid, 4-[[[[(3-methyl-2-benzofuranyl)carbonyl]amino]thioxomethyl]amino]-, 1-methylethyl ester (9CI) structure](/static/products/5912/591213-39-7.webp)
Benzoic acid, 4-[[[[(3-methyl-2-benzofuranyl)carbonyl]amino]thioxomethyl]amino]-, 1-methylethyl ester (9CI)
TL;DR: Benzoic acid, 4-[[[[(3-methyl-2-benzofuranyl)carbonyl]amino]thioxomethyl]amino]-, 1-methylethyl ester (9CI) (CAS 591213-39-7) is a chemical compound with molecular formula C21H20N2O4S and molecular weight 396.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-[(3-methyl-1-benzofuran-2-carbonyl)carbamothioylamino]benzoate
Also Known As: Benzoic acid, 4-[[[[(3-methyl-2-benzofuranyl)carbonyl]amino]thioxomethyl]amino]-, 1-methylethyl ester (9CI), Benzoicacid,4-[[[[ carbonyl]amino]thioxomethyl]amino]-,1-methylethylester, Isopropyl 4-({[(3-methyl-1-benzo[b]furan-2-yl)carbonyl]carbamothioyl}amino)benzoate, methylethyl 4-({[(3-methylbenzo[d]furan-2-yl)carbonylamino]thioxomethyl}amino) benzoate, propan-2-yl 4-[(3-methyl-1-benzofuran-2-carbonyl)carbamothioylamino]benzoate
| Molecular Formula | C21H20N2O4S |
|---|---|
| Molecular Weight | 396.11 g/mol |
| LogP | 4.43322 |
| Topological Polar Surface Area | 80.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.11438 |
| Heavy Atoms | 28 |
| Complexity | 1038.2451 |
Chemical Identifiers
| CAS Number | 591213-39-7 |
|---|---|
| SMILES | CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)OC(C)C |
Product Overview
Benzoic acid, 4-[[[[(3-methyl-2-benzofuranyl)carbonyl]amino]thioxomethyl]amino]-, 1-methylethyl ester (9CI) (CAS 591213-39-7), with molecular formula C21H20N2O4S and molecular weight 396.11 g/mol. IUPAC: propan-2-yl 4-[(3-methyl-1-benzofuran-2-carbonyl)carbamothioylamino]benzoate.
Chemical Property Profile of Benzoic acid, 4-[[[[(3-methyl-2-benzofuranyl)carbonyl]amino]thioxomethyl]amino]-, 1-methylethyl ester (9CI)
Property Insights of Benzoic acid, 4-[[[[(3-methyl-2-benzofuranyl)carbonyl]amino]thioxomethyl]amino]-, 1-methylethyl ester (9CI)
The XLogP value of 4.43322 indicates that Benzoic acid, 4-[[[[(3-methyl-2-benzofuranyl)carbonyl]amino]thioxomethyl]amino]-, 1-methylethyl ester (9CI) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-[[[[(3-methyl-2-benzofuranyl)carbonyl]amino]thioxomethyl]amino]-, 1-methylethyl ester (9CI). Following Lipinski's Rule of Five, Benzoic acid, 4-[[[[(3-methyl-2-benzofuranyl)carbonyl]amino]thioxomethyl]amino]-, 1-methylethyl ester (9CI) has 2 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 Benzoic acid, 4-[[[[(3-methyl-2-benzofuranyl)carbonyl]amino]thioxomethyl]amino]-, 1-methylethyl ester (9CI)?
The CAS number of Benzoic acid, 4-[[[[(3-methyl-2-benzofuranyl)carbonyl]amino]thioxomethyl]amino]-, 1-methylethyl ester (9CI) is 591213-39-7.
What is the molecular formula of Benzoic acid, 4-[[[[(3-methyl-2-benzofuranyl)carbonyl]amino]thioxomethyl]amino]-, 1-methylethyl ester (9CI)?
The molecular formula of Benzoic acid, 4-[[[[(3-methyl-2-benzofuranyl)carbonyl]amino]thioxomethyl]amino]-, 1-methylethyl ester (9CI) is C21H20N2O4S.
What is the molecular weight of Benzoic acid, 4-[[[[(3-methyl-2-benzofuranyl)carbonyl]amino]thioxomethyl]amino]-, 1-methylethyl ester (9CI)?
The molecular weight of Benzoic acid, 4-[[[[(3-methyl-2-benzofuranyl)carbonyl]amino]thioxomethyl]amino]-, 1-methylethyl ester (9CI) is 396.11 g/mol.
Where can I buy Benzoic acid, 4-[[[[(3-methyl-2-benzofuranyl)carbonyl]amino]thioxomethyl]amino]-, 1-methylethyl ester (9CI)?
You can request a quote for Benzoic acid, 4-[[[[(3-methyl-2-benzofuranyl)carbonyl]amino]thioxomethyl]amino]-, 1-methylethyl ester (9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-[[[[(3-methyl-2-benzofuranyl)carbonyl]amino]thioxomethyl]amino]-, 1-methylethyl ester (9CI)?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[[[[(3-methyl-2-benzofuranyl)carbonyl]amino]thioxomethyl]amino]-, 1-methylethyl ester (9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.