Pentyl dichloroacetate
TL;DR: Pentyl dichloroacetate (CAS 37079-03-1) is a chemical compound with molecular formula C7H12Cl2O2 and molecular weight 198.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2,2-dichloroacetate
Also Known As: Pentyl dichloroacetate, n-Pentyldichloracetat, pentyl 2,2-dichloroacetate, n-pentyl dichloroacetate, Pentyl dichloroacetate #
| Molecular Formula | C7H12Cl2O2 |
|---|---|
| Molecular Weight | 198.02 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 198.02144 |
| Heavy Atoms | 11 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 37079-03-1 |
|---|---|
| SMILES | CCCCCOC(=O)C(Cl)Cl |
| InChIKey | UIFCHGLUUASAAI-UHFFFAOYSA-N |
Product Overview
Pentyl dichloroacetate (CAS 37079-03-1), with molecular formula C7H12Cl2O2 and molecular weight 198.02 g/mol. IUPAC: pentyl 2,2-dichloroacetate.
Chemical Property Profile of Pentyl dichloroacetate
Property Insights of Pentyl dichloroacetate
The XLogP value of 3.3 indicates that Pentyl dichloroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pentyl dichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl dichloroacetate 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 Pentyl dichloroacetate?
The CAS number of Pentyl dichloroacetate is 37079-03-1.
What is the molecular formula of Pentyl dichloroacetate?
The molecular formula of Pentyl dichloroacetate is C7H12Cl2O2.
What is the molecular weight of Pentyl dichloroacetate?
The molecular weight of Pentyl dichloroacetate is 198.02 g/mol.
Where can I buy Pentyl dichloroacetate?
You can request a quote for Pentyl dichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl dichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl dichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.