Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate
TL;DR: Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate (CAS 96507-72-1) is a chemical compound with molecular formula C9H12ClNO3 and molecular weight 217.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chloro-5-formyl-3,6-dihydro-2H-pyridine-1-carboxylate
Also Known As: Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate, EINECS 306-150-6, ethyl 4-chloro-5-formyl-3,6-dihydro-2H-pyridine-1-carboxylate, ethyl 4-chloro-5-formyl-3,6-dihydropyridine-1(2H)-carboxylate, ethyl 4-chloro-5-formyl-1,2,3,6-tetrahydropyridine-1-carboxylate
| Molecular Formula | C9H12ClNO3 |
|---|---|
| Molecular Weight | 217.05 g/mol |
| LogP | 1.5404 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.05057 |
| Heavy Atoms | 14 |
| Complexity | 275.23062 |
Chemical Identifiers
| CAS Number | 96507-72-1 |
|---|---|
| SMILES | CCOC(=O)N1CCC(=C(C1)C=O)Cl |
Product Overview
Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate (CAS 96507-72-1), with molecular formula C9H12ClNO3 and molecular weight 217.05 g/mol. IUPAC: ethyl 4-chloro-5-formyl-3,6-dihydro-2H-pyridine-1-carboxylate.
Chemical Property Profile of Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate
Property Insights of Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate
The XLogP value of 1.5404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate. With a topological polar surface area (TPSA) of 46.61 Ų, Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate has 0 hydrogen bond donor(s) and 3 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 Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate?
The CAS number of Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate is 96507-72-1.
What is the molecular formula of Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate?
The molecular formula of Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate is C9H12ClNO3.
What is the molecular weight of Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate?
The molecular weight of Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate is 217.05 g/mol.
Where can I buy Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate?
You can request a quote for Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.