![Ethyl 4-ethyl-5-methyl-2-[[thioxo[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)amino]methyl]amino]-3-thiophenecarboxylate structure](/static/products/7261/726144-16-7.webp)
Ethyl 4-ethyl-5-methyl-2-[[thioxo[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)amino]methyl]amino]-3-thiophenecarboxylate
TL;DR: Ethyl 4-ethyl-5-methyl-2-[[thioxo[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)amino]methyl]amino]-3-thiophenecarboxylate (CAS 726144-16-7) is a chemical compound with molecular formula C22H30N2O3S2 and molecular weight 434.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(adamantane-1-carbonylcarbamothioylamino)-4-ethyl-5-methylthiophene-3-carboxylate
Also Known As: Ethyl 4-ethyl-5-methyl-2-[[thioxo[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)amino]methyl]amino]-3-thiophenecarboxylate, ethyl 2-(adamantane-1-carbonylcarbamothioylamino)-4-ethyl-5-methylthiophene-3-carboxylate, Ethyl 2-(adamantane-1-carbonylthiocarbamoylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate
| Molecular Formula | C22H30N2O3S2 |
|---|---|
| Molecular Weight | 434.17 g/mol |
| LogP | 4.82502 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.1698 |
| Heavy Atoms | 29 |
| Complexity | 810.07135 |
Chemical Identifiers
| CAS Number | 726144-16-7 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OCC)NC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3)C |
Product Overview
Ethyl 4-ethyl-5-methyl-2-[[thioxo[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)amino]methyl]amino]-3-thiophenecarboxylate (CAS 726144-16-7), with molecular formula C22H30N2O3S2 and molecular weight 434.17 g/mol. IUPAC: ethyl 2-(adamantane-1-carbonylcarbamothioylamino)-4-ethyl-5-methylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 4-ethyl-5-methyl-2-[[thioxo[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)amino]methyl]amino]-3-thiophenecarboxylate
Property Insights of Ethyl 4-ethyl-5-methyl-2-[[thioxo[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)amino]methyl]amino]-3-thiophenecarboxylate
The XLogP value of 4.82502 indicates that Ethyl 4-ethyl-5-methyl-2-[[thioxo[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)amino]methyl]amino]-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-ethyl-5-methyl-2-[[thioxo[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)amino]methyl]amino]-3-thiophenecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-ethyl-5-methyl-2-[[thioxo[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)amino]methyl]amino]-3-thiophenecarboxylate 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 Ethyl 4-ethyl-5-methyl-2-[[thioxo[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)amino]methyl]amino]-3-thiophenecarboxylate?
The CAS number of Ethyl 4-ethyl-5-methyl-2-[[thioxo[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)amino]methyl]amino]-3-thiophenecarboxylate is 726144-16-7.
What is the molecular formula of Ethyl 4-ethyl-5-methyl-2-[[thioxo[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)amino]methyl]amino]-3-thiophenecarboxylate?
The molecular formula of Ethyl 4-ethyl-5-methyl-2-[[thioxo[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)amino]methyl]amino]-3-thiophenecarboxylate is C22H30N2O3S2.
What is the molecular weight of Ethyl 4-ethyl-5-methyl-2-[[thioxo[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)amino]methyl]amino]-3-thiophenecarboxylate?
The molecular weight of Ethyl 4-ethyl-5-methyl-2-[[thioxo[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)amino]methyl]amino]-3-thiophenecarboxylate is 434.17 g/mol.
Where can I buy Ethyl 4-ethyl-5-methyl-2-[[thioxo[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)amino]methyl]amino]-3-thiophenecarboxylate?
You can request a quote for Ethyl 4-ethyl-5-methyl-2-[[thioxo[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)amino]methyl]amino]-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-ethyl-5-methyl-2-[[thioxo[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)amino]methyl]amino]-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-ethyl-5-methyl-2-[[thioxo[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)amino]methyl]amino]-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.