![[(Pentan-3-yl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate structure](/static/products/7330/733017-88-4.webp)
[(Pentan-3-yl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate
TL;DR: [(Pentan-3-yl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate (CAS 733017-88-4) is a chemical compound with molecular formula C13H16Cl2N2O3 and molecular weight 318.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(pentan-3-ylamino)ethyl] 5,6-dichloropyridine-3-carboxylate
Also Known As: Pentan-3-ylcarbamoylmethyl 5,6-dichloropyridine-3-carboxylate, [(pentan-3-yl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate, [2-oxo-2-(pentan-3-ylamino)ethyl] 5,6-dichloropyridine-3-carboxylate
| Molecular Formula | C13H16Cl2N2O3 |
|---|---|
| Molecular Weight | 318.05 g/mol |
| LogP | 2.85 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.0538 |
| Heavy Atoms | 20 |
| Complexity | 490.50467 |
Chemical Identifiers
| CAS Number | 733017-88-4 |
|---|---|
| SMILES | CCC(CC)NC(=O)COC(=O)C1=CC(=C(N=C1)Cl)Cl |
Product Overview
[(Pentan-3-yl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate (CAS 733017-88-4), with molecular formula C13H16Cl2N2O3 and molecular weight 318.05 g/mol. IUPAC: [2-oxo-2-(pentan-3-ylamino)ethyl] 5,6-dichloropyridine-3-carboxylate.
Chemical Property Profile of [(Pentan-3-yl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate
Property Insights of [(Pentan-3-yl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate
The XLogP value of 2.85 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(Pentan-3-yl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for [(Pentan-3-yl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate. Following Lipinski's Rule of Five, [(Pentan-3-yl)carbamoyl]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 [(Pentan-3-yl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate?
The CAS number of [(Pentan-3-yl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate is 733017-88-4.
What is the molecular formula of [(Pentan-3-yl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate?
The molecular formula of [(Pentan-3-yl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate is C13H16Cl2N2O3.
What is the molecular weight of [(Pentan-3-yl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate?
The molecular weight of [(Pentan-3-yl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate is 318.05 g/mol.
Where can I buy [(Pentan-3-yl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate?
You can request a quote for [(Pentan-3-yl)carbamoyl]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 [(Pentan-3-yl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [(Pentan-3-yl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.