Chloro-acetic acid neopentyl ester
TL;DR: Chloro-acetic acid neopentyl ester (CAS 126176-76-9) 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.
2,2-dimethylpropyl 2-chloroacetate
Also Known As: neopentyl 2-chloroacetate, Neopentyl chloroacetate #, chloro-acetic acid neopentyl ester, 2,2-Dimethylpropyl chloroacetate, 2,2-dimethylpropyl 2-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 | 4 |
| Exact Mass | 164.06041 |
| Heavy Atoms | 10 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 126176-76-9 |
|---|---|
| SMILES | CC(C)(C)COC(=O)CCl |
| InChIKey | JRPYLONXEYCUNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chloro-acetic acid neopentyl ester (CAS 126176-76-9), with molecular formula C7H13ClO2 and molecular weight 164.06 g/mol. IUPAC: 2,2-dimethylpropyl 2-chloroacetate.
Chemical Property Profile of Chloro-acetic acid neopentyl ester
Property Insights of Chloro-acetic acid neopentyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloro-acetic acid neopentyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Chloro-acetic acid neopentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloro-acetic acid neopentyl 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 Chloro-acetic acid neopentyl ester?
The CAS number of Chloro-acetic acid neopentyl ester is 126176-76-9.
What is the molecular formula of Chloro-acetic acid neopentyl ester?
The molecular formula of Chloro-acetic acid neopentyl ester is C7H13ClO2.
What is the molecular weight of Chloro-acetic acid neopentyl ester?
The molecular weight of Chloro-acetic acid neopentyl ester is 164.06 g/mol.
Where can I buy Chloro-acetic acid neopentyl ester?
You can request a quote for Chloro-acetic acid neopentyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloro-acetic acid neopentyl ester?
Yes, KEHONG BIO provides custom synthesis services for Chloro-acetic acid neopentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.