Kelthane acetate
TL;DR: Kelthane acetate (CAS 3567-16-6) is a chemical compound with molecular formula C16H11Cl5O2 and molecular weight 409.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethyl] acetate
Also Known As: Kelthane acetate, [2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethyl] acetate, [2,2,2-trichloro-1,1-bis ethyl]acetate, Benzenemethanol, 4-chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)-, acetate, 2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethyl acetate
| Molecular Formula | C16H11Cl5O2 |
|---|---|
| Molecular Weight | 409.92 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.92017 |
| Heavy Atoms | 23 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 3567-16-6 |
|---|---|
| SMILES | CC(=O)OC(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl |
| InChIKey | FQRHPPJYVGGBMR-UHFFFAOYSA-N |
Product Overview
Kelthane acetate (CAS 3567-16-6), with molecular formula C16H11Cl5O2 and molecular weight 409.92 g/mol. IUPAC: [2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethyl] acetate.
Chemical Property Profile of Kelthane acetate
Property Insights of Kelthane acetate
The XLogP value of 6.2 indicates that Kelthane acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Kelthane acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Kelthane acetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kelthane acetate?
The CAS number of Kelthane acetate is 3567-16-6.
What is the molecular formula of Kelthane acetate?
The molecular formula of Kelthane acetate is C16H11Cl5O2.
What is the molecular weight of Kelthane acetate?
The molecular weight of Kelthane acetate is 409.92 g/mol.
Where can I buy Kelthane acetate?
You can request a quote for Kelthane acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kelthane acetate?
Yes, KEHONG BIO provides custom synthesis services for Kelthane acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.