1-Chloroethyl pivalate
TL;DR: 1-Chloroethyl pivalate (CAS 40258-80-8) 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.
1-chloroethyl 2,2-dimethylpropanoate
Also Known As: 1-Chloroethyl pivalate, 1-chloroethyl 2,2-dimethylpropanoate, alpha-chloroethyl pivalate, 1-chloroethyl trimethylacetate, EINECS 254-863-5
| Molecular Formula | C7H13ClO2 |
|---|---|
| Molecular Weight | 164.06 g/mol |
| LogP | 2.1605 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.06041 |
| Heavy Atoms | 10 |
| Complexity | 124.05802 |
Chemical Identifiers
| CAS Number | 40258-80-8 |
|---|---|
| SMILES | CC(OC(=O)C(C)(C)C)Cl |
Product Overview
1-Chloroethyl pivalate (CAS 40258-80-8), with molecular formula C7H13ClO2 and molecular weight 164.06 g/mol. IUPAC: 1-chloroethyl 2,2-dimethylpropanoate.
Chemical Property Profile of 1-Chloroethyl pivalate
Property Insights of 1-Chloroethyl pivalate
The XLogP value of 2.1605 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloroethyl pivalate. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Chloroethyl pivalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloroethyl pivalate 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 1-Chloroethyl pivalate?
The CAS number of 1-Chloroethyl pivalate is 40258-80-8.
What is the molecular formula of 1-Chloroethyl pivalate?
The molecular formula of 1-Chloroethyl pivalate is C7H13ClO2.
What is the molecular weight of 1-Chloroethyl pivalate?
The molecular weight of 1-Chloroethyl pivalate is 164.06 g/mol.
Where can I buy 1-Chloroethyl pivalate?
You can request a quote for 1-Chloroethyl pivalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloroethyl pivalate?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloroethyl pivalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.