Methyl 2-chloro-2-methylpropanoate
TL;DR: Methyl 2-chloro-2-methylpropanoate (CAS 5306-99-0) is a chemical compound with molecular formula C5H9ClO2 and molecular weight 136.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloro-2-methylpropanoate
Also Known As: Methyl 2-chloro-2-methylpropanoate, Methyl 2-chloroisobutyrate, Methyl alpha-chloroisobutyrate, Methyl2-chloro-2-methylpropanoate, Propanoic acid, 2-chloro-2-methyl-, methyl ester
| Molecular Formula | C5H9ClO2 |
|---|---|
| Molecular Weight | 136.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 136.02911 |
| Heavy Atoms | 8 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 5306-99-0 |
|---|---|
| SMILES | CC(C)(C(=O)OC)Cl |
| InChIKey | GJWBUVKJZQLZNB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-chloro-2-methylpropanoate (CAS 5306-99-0), with molecular formula C5H9ClO2 and molecular weight 136.03 g/mol. IUPAC: methyl 2-chloro-2-methylpropanoate.
Chemical Property Profile of Methyl 2-chloro-2-methylpropanoate
Property Insights of Methyl 2-chloro-2-methylpropanoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-chloro-2-methylpropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-chloro-2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-chloro-2-methylpropanoate 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 2-chloro-2-methylpropanoate?
The CAS number of Methyl 2-chloro-2-methylpropanoate is 5306-99-0.
What is the molecular formula of Methyl 2-chloro-2-methylpropanoate?
The molecular formula of Methyl 2-chloro-2-methylpropanoate is C5H9ClO2.
What is the molecular weight of Methyl 2-chloro-2-methylpropanoate?
The molecular weight of Methyl 2-chloro-2-methylpropanoate is 136.03 g/mol.
Where can I buy Methyl 2-chloro-2-methylpropanoate?
You can request a quote for Methyl 2-chloro-2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-chloro-2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-chloro-2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.