(4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)carbamoylmethyl 5,6-dichloropyridine-3-carboxylate
TL;DR: (4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)carbamoylmethyl 5,6-dichloropyridine-3-carboxylate (CAS 565435-97-4) is a chemical compound with molecular formula C18H16Cl2N2O5S and molecular weight 442.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
Also Known As: (4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)carbamoylmethyl 5,6-dichloropyridine-3-carboxylate, [2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate, {[4-cyclopropyl-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}methyl 5,6-dichloropyridine-3-carboxylate
| Molecular Formula | C18H16Cl2N2O5S |
|---|---|
| Molecular Weight | 442.02 g/mol |
| LogP | 4.2995 |
| Topological Polar Surface Area | 94.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.0157 |
| Heavy Atoms | 28 |
| Complexity | 926.69495 |
Chemical Identifiers
| CAS Number | 565435-97-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)COC(=O)C3=CC(=C(N=C3)Cl)Cl |
Product Overview
(4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)carbamoylmethyl 5,6-dichloropyridine-3-carboxylate (CAS 565435-97-4), with molecular formula C18H16Cl2N2O5S and molecular weight 442.02 g/mol. IUPAC: [2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate.
Chemical Property Profile of (4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)carbamoylmethyl 5,6-dichloropyridine-3-carboxylate
Property Insights of (4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)carbamoylmethyl 5,6-dichloropyridine-3-carboxylate
The XLogP value of 4.2995 indicates that (4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)carbamoylmethyl 5,6-dichloropyridine-3-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 (4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)carbamoylmethyl 5,6-dichloropyridine-3-carboxylate. Following Lipinski's Rule of Five, (4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)carbamoylmethyl 5,6-dichloropyridine-3-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 (4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)carbamoylmethyl 5,6-dichloropyridine-3-carboxylate?
The CAS number of (4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)carbamoylmethyl 5,6-dichloropyridine-3-carboxylate is 565435-97-4.
What is the molecular formula of (4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)carbamoylmethyl 5,6-dichloropyridine-3-carboxylate?
The molecular formula of (4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)carbamoylmethyl 5,6-dichloropyridine-3-carboxylate is C18H16Cl2N2O5S.
What is the molecular weight of (4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)carbamoylmethyl 5,6-dichloropyridine-3-carboxylate?
The molecular weight of (4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)carbamoylmethyl 5,6-dichloropyridine-3-carboxylate is 442.02 g/mol.
Where can I buy (4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)carbamoylmethyl 5,6-dichloropyridine-3-carboxylate?
You can request a quote for (4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)carbamoylmethyl 5,6-dichloropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)carbamoylmethyl 5,6-dichloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)carbamoylmethyl 5,6-dichloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.