Methyl 4-(6-chloro-3-pyridyl)-4-oxo-butanoate
TL;DR: Methyl 4-(6-chloro-3-pyridyl)-4-oxo-butanoate (CAS 178178-65-9) is a chemical compound with molecular formula C10H10ClNO3 and molecular weight 227.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(6-chloro-3-pyridinyl)-4-oxobutanoate
Also Known As: methyl 4-(6-chloropyridin-3-yl)-4-oxobutanoate, methyl 4-(6-chloro-3-pyridyl)-4-oxo-butanoate, Methyl 4-(6-chloropyridin-3-yl)-4-oxo-butanoate, 4-(6-Chloro-3-pyridyl)-4-oxobutyric acid methyl ester
| Molecular Formula | C10H10ClNO3 |
|---|---|
| Molecular Weight | 227.03 g/mol |
| LogP | 1.8709 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.03493 |
| Heavy Atoms | 15 |
| Complexity | 361.43518 |
Chemical Identifiers
| CAS Number | 178178-65-9 |
|---|---|
| SMILES | COC(=O)CCC(=O)C1=CN=C(C=C1)Cl |
Product Overview
Methyl 4-(6-chloro-3-pyridyl)-4-oxo-butanoate (CAS 178178-65-9), with molecular formula C10H10ClNO3 and molecular weight 227.03 g/mol. IUPAC: methyl 4-(6-chloro-3-pyridinyl)-4-oxobutanoate.
Chemical Property Profile of Methyl 4-(6-chloro-3-pyridyl)-4-oxo-butanoate
Property Insights of Methyl 4-(6-chloro-3-pyridyl)-4-oxo-butanoate
The XLogP value of 1.8709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(6-chloro-3-pyridyl)-4-oxo-butanoate. With a topological polar surface area (TPSA) of 56.26 Ų, Methyl 4-(6-chloro-3-pyridyl)-4-oxo-butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(6-chloro-3-pyridyl)-4-oxo-butanoate has 0 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 Methyl 4-(6-chloro-3-pyridyl)-4-oxo-butanoate?
The CAS number of Methyl 4-(6-chloro-3-pyridyl)-4-oxo-butanoate is 178178-65-9.
What is the molecular formula of Methyl 4-(6-chloro-3-pyridyl)-4-oxo-butanoate?
The molecular formula of Methyl 4-(6-chloro-3-pyridyl)-4-oxo-butanoate is C10H10ClNO3.
What is the molecular weight of Methyl 4-(6-chloro-3-pyridyl)-4-oxo-butanoate?
The molecular weight of Methyl 4-(6-chloro-3-pyridyl)-4-oxo-butanoate is 227.03 g/mol.
Where can I buy Methyl 4-(6-chloro-3-pyridyl)-4-oxo-butanoate?
You can request a quote for Methyl 4-(6-chloro-3-pyridyl)-4-oxo-butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(6-chloro-3-pyridyl)-4-oxo-butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(6-chloro-3-pyridyl)-4-oxo-butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.