Methyl 4-chloro-5-oxohexanoate
TL;DR: Methyl 4-chloro-5-oxohexanoate (CAS 64037-75-8) is a chemical compound with molecular formula C7H11ClO3 and molecular weight 178.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-chloro-5-oxohexanoate
Also Known As: Chloracetopropylacetate, methyl 4-chloro-5-oxohexanoate, 4-Chlor-5-oxohexansaeure-methylester, 4-Acetyl-4-chlorobutyric acid methyl ester, BUTYRIC ACID, 4-ACETYL-4-CHLORO-, METHYL ESTER
| Molecular Formula | C7H11ClO3 |
|---|---|
| Molecular Weight | 178.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.03967 |
| Heavy Atoms | 11 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 64037-75-8 |
|---|---|
| SMILES | CC(=O)C(CCC(=O)OC)Cl |
| InChIKey | YUCXDPOYXKHKRS-UHFFFAOYSA-N |
Product Overview
Methyl 4-chloro-5-oxohexanoate (CAS 64037-75-8), with molecular formula C7H11ClO3 and molecular weight 178.04 g/mol. IUPAC: methyl 4-chloro-5-oxohexanoate.
Chemical Property Profile of Methyl 4-chloro-5-oxohexanoate
Property Insights of Methyl 4-chloro-5-oxohexanoate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-chloro-5-oxohexanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 4-chloro-5-oxohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-chloro-5-oxohexanoate 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 Methyl 4-chloro-5-oxohexanoate?
The CAS number of Methyl 4-chloro-5-oxohexanoate is 64037-75-8.
What is the molecular formula of Methyl 4-chloro-5-oxohexanoate?
The molecular formula of Methyl 4-chloro-5-oxohexanoate is C7H11ClO3.
What is the molecular weight of Methyl 4-chloro-5-oxohexanoate?
The molecular weight of Methyl 4-chloro-5-oxohexanoate is 178.04 g/mol.
Where can I buy Methyl 4-chloro-5-oxohexanoate?
You can request a quote for Methyl 4-chloro-5-oxohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-chloro-5-oxohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-chloro-5-oxohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.