Butanoic acid, 3-oxo-, (5-chloro-3-pyridinyl)methyl ester
TL;DR: Butanoic acid, 3-oxo-, (5-chloro-3-pyridinyl)methyl ester (CAS 41668-97-7) 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.
(5-chloro-3-pyridinyl)methyl 3-oxobutanoate
Also Known As: (5-Chloro-3-pyridinyl)methyl 3-oxobutanoate, (5-chloropyridin-3-yl)methyl 3-oxobutanoate, Butanoic acid, 3-oxo-, (5-chloro-3-pyridinyl)methyl ester, BRN 1467012, RefChem:330775
| Molecular Formula | C10H10ClNO3 |
|---|---|
| Molecular Weight | 227.03 g/mol |
| LogP | 1.7573 |
| 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 | 378.68518 |
Chemical Identifiers
| CAS Number | 41668-97-7 |
|---|---|
| SMILES | CC(=O)CC(=O)OCC1=CC(=CN=C1)Cl |
Product Overview
Butanoic acid, 3-oxo-, (5-chloro-3-pyridinyl)methyl ester (CAS 41668-97-7), with molecular formula C10H10ClNO3 and molecular weight 227.03 g/mol. IUPAC: (5-chloro-3-pyridinyl)methyl 3-oxobutanoate.
Chemical Property Profile of Butanoic acid, 3-oxo-, (5-chloro-3-pyridinyl)methyl ester
Property Insights of Butanoic acid, 3-oxo-, (5-chloro-3-pyridinyl)methyl ester
The XLogP value of 1.7573 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 3-oxo-, (5-chloro-3-pyridinyl)methyl ester. With a topological polar surface area (TPSA) of 56.26 Ų, Butanoic acid, 3-oxo-, (5-chloro-3-pyridinyl)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 3-oxo-, (5-chloro-3-pyridinyl)methyl ester 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 Butanoic acid, 3-oxo-, (5-chloro-3-pyridinyl)methyl ester?
The CAS number of Butanoic acid, 3-oxo-, (5-chloro-3-pyridinyl)methyl ester is 41668-97-7.
What is the molecular formula of Butanoic acid, 3-oxo-, (5-chloro-3-pyridinyl)methyl ester?
The molecular formula of Butanoic acid, 3-oxo-, (5-chloro-3-pyridinyl)methyl ester is C10H10ClNO3.
What is the molecular weight of Butanoic acid, 3-oxo-, (5-chloro-3-pyridinyl)methyl ester?
The molecular weight of Butanoic acid, 3-oxo-, (5-chloro-3-pyridinyl)methyl ester is 227.03 g/mol.
Where can I buy Butanoic acid, 3-oxo-, (5-chloro-3-pyridinyl)methyl ester?
You can request a quote for Butanoic acid, 3-oxo-, (5-chloro-3-pyridinyl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 3-oxo-, (5-chloro-3-pyridinyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 3-oxo-, (5-chloro-3-pyridinyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.