(Cyclooctylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate
TL;DR: (Cyclooctylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate (CAS 391653-46-6) is a chemical compound with molecular formula C16H20Cl2N2O3 and molecular weight 358.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(cyclooctylamino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
Also Known As: (cyclooctylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate, [2-(cyclooctylamino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
| Molecular Formula | C16H20Cl2N2O3 |
|---|---|
| Molecular Weight | 358.09 g/mol |
| LogP | 3.7743 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.08508 |
| Heavy Atoms | 23 |
| Complexity | 558.25635 |
Chemical Identifiers
| CAS Number | 391653-46-6 |
|---|---|
| SMILES | C1CCCC(CCC1)NC(=O)COC(=O)C2=CC(=C(N=C2)Cl)Cl |
Product Overview
(Cyclooctylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate (CAS 391653-46-6), with molecular formula C16H20Cl2N2O3 and molecular weight 358.09 g/mol. IUPAC: [2-(cyclooctylamino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate.
Chemical Property Profile of (Cyclooctylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate
Property Insights of (Cyclooctylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate
The XLogP value of 3.7743 indicates that (Cyclooctylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for (Cyclooctylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate. Following Lipinski's Rule of Five, (Cyclooctylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate has 1 hydrogen bond donor(s) and 4 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 (Cyclooctylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate?
The CAS number of (Cyclooctylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate is 391653-46-6.
What is the molecular formula of (Cyclooctylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate?
The molecular formula of (Cyclooctylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate is C16H20Cl2N2O3.
What is the molecular weight of (Cyclooctylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate?
The molecular weight of (Cyclooctylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate is 358.09 g/mol.
Where can I buy (Cyclooctylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate?
You can request a quote for (Cyclooctylcarbamoyl)methyl 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 (Cyclooctylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Cyclooctylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.