Acetic acid, chloro, 1,1-dimethylpropyl ester
TL;DR: Acetic acid, chloro, 1,1-dimethylpropyl ester (CAS 6301-33-3) 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.
2-methylbutan-2-yl 2-chloroacetate
Also Known As: 2-methylbutan-2-yl 2-chloroacetate, Acetic acid, chloro, 1,1-dimethylpropyl ester, 2-methylbutan-2-yl chloroacetate, Chloroacetic acid tert-pentyl ester, RefChem:316573
| Molecular Formula | C7H13ClO2 |
|---|---|
| Molecular Weight | 164.06 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 | 164.06041 |
| Heavy Atoms | 10 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 6301-33-3 |
|---|---|
| SMILES | CCC(C)(C)OC(=O)CCl |
| InChIKey | KPFTZXFNGNJOQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, chloro, 1,1-dimethylpropyl ester (CAS 6301-33-3), with molecular formula C7H13ClO2 and molecular weight 164.06 g/mol. IUPAC: 2-methylbutan-2-yl 2-chloroacetate.
Chemical Property Profile of Acetic acid, chloro, 1,1-dimethylpropyl ester
Property Insights of Acetic acid, chloro, 1,1-dimethylpropyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, chloro, 1,1-dimethylpropyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, chloro, 1,1-dimethylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, chloro, 1,1-dimethylpropyl ester 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 Acetic acid, chloro, 1,1-dimethylpropyl ester?
The CAS number of Acetic acid, chloro, 1,1-dimethylpropyl ester is 6301-33-3.
What is the molecular formula of Acetic acid, chloro, 1,1-dimethylpropyl ester?
The molecular formula of Acetic acid, chloro, 1,1-dimethylpropyl ester is C7H13ClO2.
What is the molecular weight of Acetic acid, chloro, 1,1-dimethylpropyl ester?
The molecular weight of Acetic acid, chloro, 1,1-dimethylpropyl ester is 164.06 g/mol.
Where can I buy Acetic acid, chloro, 1,1-dimethylpropyl ester?
You can request a quote for Acetic acid, chloro, 1,1-dimethylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, chloro, 1,1-dimethylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, chloro, 1,1-dimethylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.