Chloromethyl 3-methylbutanoate
TL;DR: Chloromethyl 3-methylbutanoate (CAS 82504-50-5) is a chemical compound with molecular formula C6H11ClO2 and molecular weight 150.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloromethyl 3-methylbutanoate
Also Known As: Chloromethyl 3-methylbutanoate, isovaleryloxy-methylchloride, Chloromethyl3-methylbutanoate, Monochloromethyl isopentanoate, chloromethyl isobutyl carbonate
| Molecular Formula | C6H11ClO2 |
|---|---|
| Molecular Weight | 150.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 150.04475 |
| Heavy Atoms | 9 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 82504-50-5 |
|---|---|
| SMILES | CC(C)CC(=O)OCCl |
| InChIKey | GDUQVLASZBFABN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chloromethyl 3-methylbutanoate (CAS 82504-50-5), with molecular formula C6H11ClO2 and molecular weight 150.04 g/mol. IUPAC: chloromethyl 3-methylbutanoate.
Chemical Property Profile of Chloromethyl 3-methylbutanoate
Property Insights of Chloromethyl 3-methylbutanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloromethyl 3-methylbutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Chloromethyl 3-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloromethyl 3-methylbutanoate 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 Chloromethyl 3-methylbutanoate?
The CAS number of Chloromethyl 3-methylbutanoate is 82504-50-5.
What is the molecular formula of Chloromethyl 3-methylbutanoate?
The molecular formula of Chloromethyl 3-methylbutanoate is C6H11ClO2.
What is the molecular weight of Chloromethyl 3-methylbutanoate?
The molecular weight of Chloromethyl 3-methylbutanoate is 150.04 g/mol.
Where can I buy Chloromethyl 3-methylbutanoate?
You can request a quote for Chloromethyl 3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloromethyl 3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Chloromethyl 3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.