3-Methylbutyl chloroacetate
TL;DR: 3-Methylbutyl chloroacetate (CAS 5326-92-1) is a chemical compound with molecular formula C7H13ClO2 and molecular weight 164.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 2-chloroacetate
Also Known As: 3-Methylbutyl chloroacetate, 3-methylbutyl 2-chloroacetate, Isopentyl chloroacetate, isopentyl 2-chloroacetate, Isopentyl chloroacetate #
| Molecular Formula | C7H13ClO2 |
|---|---|
| Molecular Weight | 164.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 164.06041 |
| Heavy Atoms | 10 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 5326-92-1 |
|---|---|
| SMILES | CC(C)CCOC(=O)CCl |
| InChIKey | UZQBACINTKFBSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylbutyl chloroacetate (CAS 5326-92-1), with molecular formula C7H13ClO2 and molecular weight 164.06 g/mol. IUPAC: 3-methylbutyl 2-chloroacetate.
Chemical Property Profile of 3-Methylbutyl chloroacetate
Property Insights of 3-Methylbutyl chloroacetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbutyl chloroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Methylbutyl chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbutyl chloroacetate 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 3-Methylbutyl chloroacetate?
The CAS number of 3-Methylbutyl chloroacetate is 5326-92-1.
What is the molecular formula of 3-Methylbutyl chloroacetate?
The molecular formula of 3-Methylbutyl chloroacetate is C7H13ClO2.
What is the molecular weight of 3-Methylbutyl chloroacetate?
The molecular weight of 3-Methylbutyl chloroacetate is 164.06 g/mol.
Where can I buy 3-Methylbutyl chloroacetate?
You can request a quote for 3-Methylbutyl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbutyl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbutyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.