![{[3-(methoxycarbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate structure](/static/products/851/851184-66-2.png)
{[3-(methoxycarbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate
TL;DR: {[3-(methoxycarbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate (CAS 851184-66-2) is a chemical compound with molecular formula C19H18Cl2N2O5S and molecular weight 456.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
Also Known As: {[3-(methoxycarbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate, [2-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
| Molecular Formula | C19H18Cl2N2O5S |
|---|---|
| Molecular Weight | 456.03 g/mol |
| LogP | 4.3009 |
| Topological Polar Surface Area | 94.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.03134 |
| Heavy Atoms | 29 |
| Complexity | 960.3164 |
Chemical Identifiers
| CAS Number | 851184-66-2 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)COC(=O)C3=C(C=CC(=N3)Cl)Cl |
Product Overview
{[3-(methoxycarbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate (CAS 851184-66-2), with molecular formula C19H18Cl2N2O5S and molecular weight 456.03 g/mol. IUPAC: [2-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate.
Chemical Property Profile of {[3-(methoxycarbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate
Property Insights of {[3-(methoxycarbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate
The XLogP value of 4.3009 indicates that {[3-(methoxycarbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-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-(methoxycarbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate. Following Lipinski's Rule of Five, {[3-(methoxycarbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-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-(methoxycarbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate?
The CAS number of {[3-(methoxycarbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate is 851184-66-2.
What is the molecular formula of {[3-(methoxycarbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate?
The molecular formula of {[3-(methoxycarbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate is C19H18Cl2N2O5S.
What is the molecular weight of {[3-(methoxycarbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate?
The molecular weight of {[3-(methoxycarbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate is 456.03 g/mol.
Where can I buy {[3-(methoxycarbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate?
You can request a quote for {[3-(methoxycarbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-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-(methoxycarbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for {[3-(methoxycarbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.