Methyl 9-chloro-9-oxononanoate
TL;DR: Methyl 9-chloro-9-oxononanoate (CAS 56555-02-3) is a chemical compound with molecular formula C10H17ClO3 and molecular weight 220.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 9-chloro-9-oxononanoate
Also Known As: Methyl 9-chloro-9-oxononanoate, CH3OCO(CH2)7COCl, 8-carbomethoxyoctanoyl chloride, Methyl 9-chloro-9-oxo-nonanoate, methyl 8-(chlorocarbonyl)octanoate
| Molecular Formula | C10H17ClO3 |
|---|---|
| Molecular Weight | 220.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 220.08662 |
| Heavy Atoms | 14 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 56555-02-3 |
|---|---|
| SMILES | COC(=O)CCCCCCCC(=O)Cl |
| InChIKey | LIZJAMAJAXTVJS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 9-chloro-9-oxononanoate (CAS 56555-02-3), with molecular formula C10H17ClO3 and molecular weight 220.09 g/mol. IUPAC: methyl 9-chloro-9-oxononanoate.
Chemical Property Profile of Methyl 9-chloro-9-oxononanoate
Property Insights of Methyl 9-chloro-9-oxononanoate
The XLogP value of 3.3 indicates that Methyl 9-chloro-9-oxononanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 9-chloro-9-oxononanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 9-chloro-9-oxononanoate 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 9-chloro-9-oxononanoate?
The CAS number of Methyl 9-chloro-9-oxononanoate is 56555-02-3.
What is the molecular formula of Methyl 9-chloro-9-oxononanoate?
The molecular formula of Methyl 9-chloro-9-oxononanoate is C10H17ClO3.
What is the molecular weight of Methyl 9-chloro-9-oxononanoate?
The molecular weight of Methyl 9-chloro-9-oxononanoate is 220.09 g/mol.
Where can I buy Methyl 9-chloro-9-oxononanoate?
You can request a quote for Methyl 9-chloro-9-oxononanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 9-chloro-9-oxononanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 9-chloro-9-oxononanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.