Methyl 5,5-dichloro-3-oxo-4-pentenoate
TL;DR: Methyl 5,5-dichloro-3-oxo-4-pentenoate (CAS 85839-23-2) is a chemical compound with molecular formula C6H6Cl2O3 and molecular weight 195.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5,5-dichloro-3-oxopent-4-enoate
Also Known As: METHYL 5,5-DICHLORO-3-OXO-4-PENTENOATE, methyl 5,5-dichloro-3-oxopent-4-enoate, Methyl 5,5-dichloro-3-oxo-pent-4-enoate, 663-223-8, RefChem:816606
| Molecular Formula | C6H6Cl2O3 |
|---|---|
| Molecular Weight | 195.97 g/mol |
| LogP | 1.4376 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.9694 |
| Heavy Atoms | 11 |
| Complexity | 194.00407 |
Chemical Identifiers
| CAS Number | 85839-23-2 |
|---|---|
| SMILES | COC(=O)CC(=O)C=C(Cl)Cl |
Product Overview
Methyl 5,5-dichloro-3-oxo-4-pentenoate (CAS 85839-23-2), with molecular formula C6H6Cl2O3 and molecular weight 195.97 g/mol. IUPAC: methyl 5,5-dichloro-3-oxopent-4-enoate.
Chemical Property Profile of Methyl 5,5-dichloro-3-oxo-4-pentenoate
Property Insights of Methyl 5,5-dichloro-3-oxo-4-pentenoate
The XLogP value of 1.4376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5,5-dichloro-3-oxo-4-pentenoate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 5,5-dichloro-3-oxo-4-pentenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5,5-dichloro-3-oxo-4-pentenoate 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 5,5-dichloro-3-oxo-4-pentenoate?
The CAS number of Methyl 5,5-dichloro-3-oxo-4-pentenoate is 85839-23-2.
What is the molecular formula of Methyl 5,5-dichloro-3-oxo-4-pentenoate?
The molecular formula of Methyl 5,5-dichloro-3-oxo-4-pentenoate is C6H6Cl2O3.
What is the molecular weight of Methyl 5,5-dichloro-3-oxo-4-pentenoate?
The molecular weight of Methyl 5,5-dichloro-3-oxo-4-pentenoate is 195.97 g/mol.
Where can I buy Methyl 5,5-dichloro-3-oxo-4-pentenoate?
You can request a quote for Methyl 5,5-dichloro-3-oxo-4-pentenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5,5-dichloro-3-oxo-4-pentenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5,5-dichloro-3-oxo-4-pentenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.