Methyl chlorotetrolate
TL;DR: Methyl chlorotetrolate (CAS 5408-58-2) is a chemical compound with molecular formula C5H5ClO2 and molecular weight 132.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-chlorobut-2-ynoate
Also Known As: Methyl 4-chlorobut-2-ynoate, Methyl chlorotetrolate, methyl 4-chlorotetrolate, METHYL-4-CHLORO-2-BUTYNOATE, Chlorotetrolic acid methyl ester
| Molecular Formula | C5H5ClO2 |
|---|---|
| Molecular Weight | 132.00 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 131.9978 |
| Heavy Atoms | 8 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 5408-58-2 |
|---|---|
| SMILES | COC(=O)C#CCCl |
| InChIKey | SQWTVWVBVHSZGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl chlorotetrolate (CAS 5408-58-2), with molecular formula C5H5ClO2 and molecular weight 132.00 g/mol. IUPAC: methyl 4-chlorobut-2-ynoate.
Chemical Property Profile of Methyl chlorotetrolate
Property Insights of Methyl chlorotetrolate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl chlorotetrolate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl chlorotetrolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl chlorotetrolate has 0 hydrogen bond donor(s) and 2 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 chlorotetrolate?
The CAS number of Methyl chlorotetrolate is 5408-58-2.
What is the molecular formula of Methyl chlorotetrolate?
The molecular formula of Methyl chlorotetrolate is C5H5ClO2.
What is the molecular weight of Methyl chlorotetrolate?
The molecular weight of Methyl chlorotetrolate is 132.00 g/mol.
Where can I buy Methyl chlorotetrolate?
You can request a quote for Methyl chlorotetrolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl chlorotetrolate?
Yes, KEHONG BIO provides custom synthesis services for Methyl chlorotetrolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.