1,1-Di(4-chlorophenoxy)-3,3-dimethylbutan-2-one
TL;DR: 1,1-Di(4-chlorophenoxy)-3,3-dimethylbutan-2-one (CAS 43067-49-8) is a chemical compound with molecular formula C18H18Cl2O3 and molecular weight 352.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-bis(4-chlorophenoxy)-3,3-dimethylbutan-2-one
Also Known As: 5,7-dimethylindazole, NIOSH/EL6840000, 1,1-bis(4-chlorophenoxy)-3,3-dimethylbutan-2-one, 1,1-Di(4-chlorophenoxy)-3,3-dimethylbutan-2-one, 1,1-Bis(4-chlorophenoxy)-3,3-dimethyl-2-butanone
| Molecular Formula | C18H18Cl2O3 |
|---|---|
| Molecular Weight | 352.06 g/mol |
| LogP | 5.3925 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.0633 |
| Heavy Atoms | 23 |
| Complexity | 610.6612 |
Chemical Identifiers
| CAS Number | 43067-49-8 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(OC1=CC=C(C=C1)Cl)OC2=CC=C(C=C2)Cl |
Product Overview
1,1-Di(4-chlorophenoxy)-3,3-dimethylbutan-2-one (CAS 43067-49-8), with molecular formula C18H18Cl2O3 and molecular weight 352.06 g/mol. IUPAC: 1,1-bis(4-chlorophenoxy)-3,3-dimethylbutan-2-one.
Chemical Property Profile of 1,1-Di(4-chlorophenoxy)-3,3-dimethylbutan-2-one
Property Insights of 1,1-Di(4-chlorophenoxy)-3,3-dimethylbutan-2-one
The XLogP value of 5.3925 indicates that 1,1-Di(4-chlorophenoxy)-3,3-dimethylbutan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 1,1-Di(4-chlorophenoxy)-3,3-dimethylbutan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Di(4-chlorophenoxy)-3,3-dimethylbutan-2-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1-Di(4-chlorophenoxy)-3,3-dimethylbutan-2-one?
The CAS number of 1,1-Di(4-chlorophenoxy)-3,3-dimethylbutan-2-one is 43067-49-8.
What is the molecular formula of 1,1-Di(4-chlorophenoxy)-3,3-dimethylbutan-2-one?
The molecular formula of 1,1-Di(4-chlorophenoxy)-3,3-dimethylbutan-2-one is C18H18Cl2O3.
What is the molecular weight of 1,1-Di(4-chlorophenoxy)-3,3-dimethylbutan-2-one?
The molecular weight of 1,1-Di(4-chlorophenoxy)-3,3-dimethylbutan-2-one is 352.06 g/mol.
Where can I buy 1,1-Di(4-chlorophenoxy)-3,3-dimethylbutan-2-one?
You can request a quote for 1,1-Di(4-chlorophenoxy)-3,3-dimethylbutan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Di(4-chlorophenoxy)-3,3-dimethylbutan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Di(4-chlorophenoxy)-3,3-dimethylbutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.