Acetic acid, trichloro-, 1,2-dimethylpropyl ester
TL;DR: Acetic acid, trichloro-, 1,2-dimethylpropyl ester (CAS 84612-70-4) is a chemical compound with molecular formula C7H11Cl3O2 and molecular weight 231.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutan-2-yl 2,2,2-trichloroacetate
Also Known As: 3-Methylbutan-2-yl trichloroacetate, 3-methylbutan-2-yl 2,2,2-trichloroacetate, Acetic acid, trichloro, 1,2-dimethylpropyl ester, Acetic acid, trichloro-, 1,2-dimethylpropyl ester, Acetic acid,trichloro,1,2-dimethylpropyl ester
| Molecular Formula | C7H11Cl3O2 |
|---|---|
| Molecular Weight | 231.98 g/mol |
| LogP | 2.9443 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.98247 |
| Heavy Atoms | 12 |
| Complexity | 162.52464 |
Chemical Identifiers
| CAS Number | 84612-70-4 |
|---|---|
| SMILES | CC(C)C(C)OC(=O)C(Cl)(Cl)Cl |
Product Overview
Acetic acid, trichloro-, 1,2-dimethylpropyl ester (CAS 84612-70-4), with molecular formula C7H11Cl3O2 and molecular weight 231.98 g/mol. IUPAC: 3-methylbutan-2-yl 2,2,2-trichloroacetate.
Chemical Property Profile of Acetic acid, trichloro-, 1,2-dimethylpropyl ester
Property Insights of Acetic acid, trichloro-, 1,2-dimethylpropyl ester
The XLogP value of 2.9443 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, trichloro-, 1,2-dimethylpropyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, trichloro-, 1,2-dimethylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, trichloro-, 1,2-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, trichloro-, 1,2-dimethylpropyl ester?
The CAS number of Acetic acid, trichloro-, 1,2-dimethylpropyl ester is 84612-70-4.
What is the molecular formula of Acetic acid, trichloro-, 1,2-dimethylpropyl ester?
The molecular formula of Acetic acid, trichloro-, 1,2-dimethylpropyl ester is C7H11Cl3O2.
What is the molecular weight of Acetic acid, trichloro-, 1,2-dimethylpropyl ester?
The molecular weight of Acetic acid, trichloro-, 1,2-dimethylpropyl ester is 231.98 g/mol.
Where can I buy Acetic acid, trichloro-, 1,2-dimethylpropyl ester?
You can request a quote for Acetic acid, trichloro-, 1,2-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, trichloro-, 1,2-dimethylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, trichloro-, 1,2-dimethylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.