![ethyl 4-[({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonothioyl)amino]-4-oxobutanoate structure](/static/products/642/642972-82-5.png)
ethyl 4-[({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonothioyl)amino]-4-oxobutanoate
TL;DR: ethyl 4-[({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonothioyl)amino]-4-oxobutanoate (CAS 642972-82-5) is a chemical compound with molecular formula C14H19N3O4S2 and molecular weight 357.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioylamino]-4-oxobutanoate
Also Known As: ethyl 4-[({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonothioyl)amino]-4-oxobutanoate, ethyl 4-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioylamino]-4-oxobutanoate, ethyl 4-{[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioyl]amino}-4-oxobutanoate
| Molecular Formula | C14H19N3O4S2 |
|---|---|
| Molecular Weight | 357.08 g/mol |
| LogP | 1.62014 |
| Topological Polar Surface Area | 110.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.0817 |
| Heavy Atoms | 23 |
| Complexity | 640.21204 |
Chemical Identifiers
| CAS Number | 642972-82-5 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)NC(=S)NC1=C(C(=C(S1)C)C)C(=O)N |
Product Overview
ethyl 4-[({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonothioyl)amino]-4-oxobutanoate (CAS 642972-82-5), with molecular formula C14H19N3O4S2 and molecular weight 357.08 g/mol. IUPAC: ethyl 4-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioylamino]-4-oxobutanoate.
Chemical Property Profile of ethyl 4-[({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonothioyl)amino]-4-oxobutanoate
Property Insights of ethyl 4-[({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonothioyl)amino]-4-oxobutanoate
The XLogP value of 1.62014 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonothioyl)amino]-4-oxobutanoate. The TPSA of 110.52 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonothioyl)amino]-4-oxobutanoate. Following Lipinski's Rule of Five, ethyl 4-[({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonothioyl)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 ethyl 4-[({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonothioyl)amino]-4-oxobutanoate?
The CAS number of ethyl 4-[({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonothioyl)amino]-4-oxobutanoate is 642972-82-5.
What is the molecular formula of ethyl 4-[({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonothioyl)amino]-4-oxobutanoate?
The molecular formula of ethyl 4-[({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonothioyl)amino]-4-oxobutanoate is C14H19N3O4S2.
What is the molecular weight of ethyl 4-[({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonothioyl)amino]-4-oxobutanoate?
The molecular weight of ethyl 4-[({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonothioyl)amino]-4-oxobutanoate is 357.08 g/mol.
Where can I buy ethyl 4-[({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonothioyl)amino]-4-oxobutanoate?
You can request a quote for ethyl 4-[({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonothioyl)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 ethyl 4-[({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonothioyl)amino]-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonothioyl)amino]-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.