![{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate structure](/static/products/1111/1111586-61-8.webp)
{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate
TL;DR: {[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate (CAS 1111586-61-8) is a chemical compound with molecular formula C17H16Cl2N2O5S and molecular weight 430.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
Also Known As: {[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate, (3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)carbamoylmethyl 3,6-dichloropyridine-2-carboxylate, [2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
| Molecular Formula | C17H16Cl2N2O5S |
|---|---|
| Molecular Weight | 430.02 g/mol |
| LogP | 4.03894 |
| Topological Polar Surface Area | 94.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.0157 |
| Heavy Atoms | 27 |
| Complexity | 897.6892 |
Chemical Identifiers
| CAS Number | 1111586-61-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl |
Product Overview
{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate (CAS 1111586-61-8), with molecular formula C17H16Cl2N2O5S and molecular weight 430.02 g/mol. IUPAC: [2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate.
Chemical Property Profile of {[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate
Property Insights of {[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate
The XLogP value of 4.03894 indicates that {[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.59 Ų falls within the moderate polarity range, balancing permeability and solubility for {[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate. Following Lipinski's Rule of Five, {[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate has 1 hydrogen bond donor(s) and 7 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 {[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate?
The CAS number of {[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate is 1111586-61-8.
What is the molecular formula of {[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate?
The molecular formula of {[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate is C17H16Cl2N2O5S.
What is the molecular weight of {[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate?
The molecular weight of {[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate is 430.02 g/mol.
Where can I buy {[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate?
You can request a quote for {[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for {[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.