Hexanoic acid, 4,6,6,6-tetrachloro-3,3-dimethyl-, ethyl ester
TL;DR: Hexanoic acid, 4,6,6,6-tetrachloro-3,3-dimethyl-, ethyl ester (CAS 60066-53-7) is a chemical compound with molecular formula C10H16Cl4O2 and molecular weight 307.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,6,6,6-tetrachloro-3,3-dimethylhexanoate
Also Known As: Ethyl 4,6,6,6-tetrachloro-3,3-dimethylhexanoate, Ethyl-4,6,6,6-tetrachlor-3,3-dimethylhexanoat, Hexanoic acid, 4,6,6,6-tetrachloro-3,3-dimethyl-, ethyl ester, Hexanoic acid, 3,3-dimethyl-4,6,6,6-tetrachloro-, ethyl ester, 4,6,6,6-Tetrachloro-3,3-dimethylhexanoic acid, ethyl ester
| Molecular Formula | C10H16Cl4O2 |
|---|---|
| Molecular Weight | 307.99 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.9875 |
| Heavy Atoms | 16 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 60066-53-7 |
|---|---|
| SMILES | CCOC(=O)CC(C)(C)C(CC(Cl)(Cl)Cl)Cl |
| InChIKey | IKYLWHDWLWHILP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexanoic acid, 4,6,6,6-tetrachloro-3,3-dimethyl-, ethyl ester (CAS 60066-53-7), with molecular formula C10H16Cl4O2 and molecular weight 307.99 g/mol. IUPAC: ethyl 4,6,6,6-tetrachloro-3,3-dimethylhexanoate.
Chemical Property Profile of Hexanoic acid, 4,6,6,6-tetrachloro-3,3-dimethyl-, ethyl ester
Property Insights of Hexanoic acid, 4,6,6,6-tetrachloro-3,3-dimethyl-, ethyl ester
The XLogP value of 4.5 indicates that Hexanoic acid, 4,6,6,6-tetrachloro-3,3-dimethyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexanoic acid, 4,6,6,6-tetrachloro-3,3-dimethyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoic acid, 4,6,6,6-tetrachloro-3,3-dimethyl-, ethyl 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 Hexanoic acid, 4,6,6,6-tetrachloro-3,3-dimethyl-, ethyl ester?
The CAS number of Hexanoic acid, 4,6,6,6-tetrachloro-3,3-dimethyl-, ethyl ester is 60066-53-7.
What is the molecular formula of Hexanoic acid, 4,6,6,6-tetrachloro-3,3-dimethyl-, ethyl ester?
The molecular formula of Hexanoic acid, 4,6,6,6-tetrachloro-3,3-dimethyl-, ethyl ester is C10H16Cl4O2.
What is the molecular weight of Hexanoic acid, 4,6,6,6-tetrachloro-3,3-dimethyl-, ethyl ester?
The molecular weight of Hexanoic acid, 4,6,6,6-tetrachloro-3,3-dimethyl-, ethyl ester is 307.99 g/mol.
Where can I buy Hexanoic acid, 4,6,6,6-tetrachloro-3,3-dimethyl-, ethyl ester?
You can request a quote for Hexanoic acid, 4,6,6,6-tetrachloro-3,3-dimethyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoic acid, 4,6,6,6-tetrachloro-3,3-dimethyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 4,6,6,6-tetrachloro-3,3-dimethyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.