Methyl 4-chloroformylbutyrate
TL;DR: Methyl 4-chloroformylbutyrate (CAS 1501-26-4) is a chemical compound with molecular formula C6H9ClO3 and molecular weight 164.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-chloro-5-oxopentanoate
Also Known As: methyl 5-chloro-5-oxopentanoate, Methyl 4-(chloroformyl)butyrate, Methyl 4-chloroformylbutyrate, Methyl glutaryl chloride, Methyl 5-chloro-5-oxovalerate
| Molecular Formula | C6H9ClO3 |
|---|---|
| Molecular Weight | 164.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 164.02402 |
| Heavy Atoms | 10 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 1501-26-4 |
|---|---|
| SMILES | COC(=O)CCCC(=O)Cl |
| InChIKey | JCAZSWWHFJVFPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-chloroformylbutyrate (CAS 1501-26-4), with molecular formula C6H9ClO3 and molecular weight 164.02 g/mol. IUPAC: methyl 5-chloro-5-oxopentanoate.
Chemical Property Profile of Methyl 4-chloroformylbutyrate
Property Insights of Methyl 4-chloroformylbutyrate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-chloroformylbutyrate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 4-chloroformylbutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-chloroformylbutyrate 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-chloroformylbutyrate?
The CAS number of Methyl 4-chloroformylbutyrate is 1501-26-4.
What is the molecular formula of Methyl 4-chloroformylbutyrate?
The molecular formula of Methyl 4-chloroformylbutyrate is C6H9ClO3.
What is the molecular weight of Methyl 4-chloroformylbutyrate?
The molecular weight of Methyl 4-chloroformylbutyrate is 164.02 g/mol.
Where can I buy Methyl 4-chloroformylbutyrate?
You can request a quote for Methyl 4-chloroformylbutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-chloroformylbutyrate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-chloroformylbutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.