![methyl 4-{[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioyl]amino}-4-oxobutanoate structure](/static/products/6429/642943-89-3.webp)
methyl 4-{[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioyl]amino}-4-oxobutanoate
TL;DR: methyl 4-{[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioyl]amino}-4-oxobutanoate (CAS 642943-89-3) is a chemical compound with molecular formula C13H17N3O4S2 and molecular weight 343.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioylamino]-4-oxobutanoate
Also Known As: methyl 4-{[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioyl]amino}-4-oxobutanoate, F1521-1751, methyl 4-(3-(3-carbamoyl-4,5-dimethylthiophen-2-yl)thioureido)-4-oxobutanoate, methyl 4-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioylamino]-4-oxobutanoate, methyl 4-[({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonothioyl)amino]-4-oxobutanoate
| Molecular Formula | C13H17N3O4S2 |
|---|---|
| Molecular Weight | 343.07 g/mol |
| LogP | 1.23004 |
| Topological Polar Surface Area | 110.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.06604 |
| Heavy Atoms | 22 |
| Complexity | 625.0466 |
Chemical Identifiers
| CAS Number | 642943-89-3 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)CCC(=O)OC)C |
Product Overview
methyl 4-{[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioyl]amino}-4-oxobutanoate (CAS 642943-89-3), with molecular formula C13H17N3O4S2 and molecular weight 343.07 g/mol. IUPAC: methyl 4-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioylamino]-4-oxobutanoate.
Chemical Property Profile of methyl 4-{[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioyl]amino}-4-oxobutanoate
Property Insights of methyl 4-{[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioyl]amino}-4-oxobutanoate
The XLogP value of 1.23004 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-{[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioyl]amino}-4-oxobutanoate. The TPSA of 110.52 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-{[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioyl]amino}-4-oxobutanoate. Following Lipinski's Rule of Five, methyl 4-{[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioyl]amino}-4-oxobutanoate 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 methyl 4-{[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioyl]amino}-4-oxobutanoate?
The CAS number of methyl 4-{[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioyl]amino}-4-oxobutanoate is 642943-89-3.
What is the molecular formula of methyl 4-{[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioyl]amino}-4-oxobutanoate?
The molecular formula of methyl 4-{[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioyl]amino}-4-oxobutanoate is C13H17N3O4S2.
What is the molecular weight of methyl 4-{[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioyl]amino}-4-oxobutanoate?
The molecular weight of methyl 4-{[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioyl]amino}-4-oxobutanoate is 343.07 g/mol.
Where can I buy methyl 4-{[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioyl]amino}-4-oxobutanoate?
You can request a quote for methyl 4-{[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioyl]amino}-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-{[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioyl]amino}-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioyl]amino}-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.