3,3-dimethyl-2-butanone O-(2,4-dichlorobenzoyl)oxime
TL;DR: 3,3-dimethyl-2-butanone O-(2,4-dichlorobenzoyl)oxime (CAS 299405-31-5) is a chemical compound with molecular formula C13H15Cl2NO2 and molecular weight 287.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-3,3-dimethylbutan-2-ylideneamino] 2,4-dichlorobenzoate
Also Known As: 3,3-dimethyl-2-butanone O-(2,4-dichlorobenzoyl)oxime, AN-329/40129846, [(E)-3,3-dimethylbutan-2-ylideneamino] 2,4-dichlorobenzoate, (1E)-2,3,3-trimethyl-1-azabut-1-enyl 2,4-dichlorobenzoate, (2,4-dichlorophenyl)({[(2E)-3,3-dimethylbutan-2-ylidene]amino}oxy)methanone
| Molecular Formula | C13H15Cl2NO2 |
|---|---|
| Molecular Weight | 287.05 g/mol |
| LogP | 4.5722 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.04797 |
| Heavy Atoms | 18 |
| Complexity | 490.25488 |
Chemical Identifiers
| CAS Number | 299405-31-5 |
|---|---|
| SMILES | C/C(=N\OC(=O)C1=C(C=C(C=C1)Cl)Cl)/C(C)(C)C |
Product Overview
3,3-dimethyl-2-butanone O-(2,4-dichlorobenzoyl)oxime (CAS 299405-31-5), with molecular formula C13H15Cl2NO2 and molecular weight 287.05 g/mol. IUPAC: [(E)-3,3-dimethylbutan-2-ylideneamino] 2,4-dichlorobenzoate.
Chemical Property Profile of 3,3-dimethyl-2-butanone O-(2,4-dichlorobenzoyl)oxime
Property Insights of 3,3-dimethyl-2-butanone O-(2,4-dichlorobenzoyl)oxime
The XLogP value of 4.5722 indicates that 3,3-dimethyl-2-butanone O-(2,4-dichlorobenzoyl)oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.66 Ų, 3,3-dimethyl-2-butanone O-(2,4-dichlorobenzoyl)oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-dimethyl-2-butanone O-(2,4-dichlorobenzoyl)oxime has 0 hydrogen bond donor(s) and 3 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 3,3-dimethyl-2-butanone O-(2,4-dichlorobenzoyl)oxime?
The CAS number of 3,3-dimethyl-2-butanone O-(2,4-dichlorobenzoyl)oxime is 299405-31-5.
What is the molecular formula of 3,3-dimethyl-2-butanone O-(2,4-dichlorobenzoyl)oxime?
The molecular formula of 3,3-dimethyl-2-butanone O-(2,4-dichlorobenzoyl)oxime is C13H15Cl2NO2.
What is the molecular weight of 3,3-dimethyl-2-butanone O-(2,4-dichlorobenzoyl)oxime?
The molecular weight of 3,3-dimethyl-2-butanone O-(2,4-dichlorobenzoyl)oxime is 287.05 g/mol.
Where can I buy 3,3-dimethyl-2-butanone O-(2,4-dichlorobenzoyl)oxime?
You can request a quote for 3,3-dimethyl-2-butanone O-(2,4-dichlorobenzoyl)oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-dimethyl-2-butanone O-(2,4-dichlorobenzoyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-2-butanone O-(2,4-dichlorobenzoyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.