1-Butanone, 2,2-dimethyl-3-hydroxy-1-phenyl-4,4,4-trichloro-
TL;DR: 1-Butanone, 2,2-dimethyl-3-hydroxy-1-phenyl-4,4,4-trichloro- (CAS 75990-59-9) is a chemical compound with molecular formula C12H13Cl3O2 and molecular weight 294.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trichloro-3-hydroxy-2,2-dimethyl-1-phenylbutan-1-one
Also Known As: NIOSH/EU2351000, 2,2-Dimethyl-3-hydroxy-1-phenyl-4,4,4-trichloro-1-butanone, 1-BUTANONE, 2,2-DIMETHYL-3-HYDROXY-1-PHENYL-4,4,4-TRICHLORO-, 4,4,4-trichloro-3-hydroxy-2,2-dimethyl-1-phenylbutan-1-one, 2,2-Dimethyl-3-hydroxy-4,4,4-trichlorobutyrophenone
| Molecular Formula | C12H13Cl3O2 |
|---|---|
| Molecular Weight | 294.00 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.9981 |
| Heavy Atoms | 17 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 75990-59-9 |
|---|---|
| SMILES | CC(C)(C(C(Cl)(Cl)Cl)O)C(=O)C1=CC=CC=C1 |
| InChIKey | UCTCCXOYMGQSJL-UHFFFAOYSA-N |
Product Overview
1-Butanone, 2,2-dimethyl-3-hydroxy-1-phenyl-4,4,4-trichloro- (CAS 75990-59-9), with molecular formula C12H13Cl3O2 and molecular weight 294.00 g/mol. IUPAC: 4,4,4-trichloro-3-hydroxy-2,2-dimethyl-1-phenylbutan-1-one.
Chemical Property Profile of 1-Butanone, 2,2-dimethyl-3-hydroxy-1-phenyl-4,4,4-trichloro-
Property Insights of 1-Butanone, 2,2-dimethyl-3-hydroxy-1-phenyl-4,4,4-trichloro-
The XLogP value of 3.7 indicates that 1-Butanone, 2,2-dimethyl-3-hydroxy-1-phenyl-4,4,4-trichloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 1-Butanone, 2,2-dimethyl-3-hydroxy-1-phenyl-4,4,4-trichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanone, 2,2-dimethyl-3-hydroxy-1-phenyl-4,4,4-trichloro- has 1 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 1-Butanone, 2,2-dimethyl-3-hydroxy-1-phenyl-4,4,4-trichloro-?
The CAS number of 1-Butanone, 2,2-dimethyl-3-hydroxy-1-phenyl-4,4,4-trichloro- is 75990-59-9.
What is the molecular formula of 1-Butanone, 2,2-dimethyl-3-hydroxy-1-phenyl-4,4,4-trichloro-?
The molecular formula of 1-Butanone, 2,2-dimethyl-3-hydroxy-1-phenyl-4,4,4-trichloro- is C12H13Cl3O2.
What is the molecular weight of 1-Butanone, 2,2-dimethyl-3-hydroxy-1-phenyl-4,4,4-trichloro-?
The molecular weight of 1-Butanone, 2,2-dimethyl-3-hydroxy-1-phenyl-4,4,4-trichloro- is 294.00 g/mol.
Where can I buy 1-Butanone, 2,2-dimethyl-3-hydroxy-1-phenyl-4,4,4-trichloro-?
You can request a quote for 1-Butanone, 2,2-dimethyl-3-hydroxy-1-phenyl-4,4,4-trichloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanone, 2,2-dimethyl-3-hydroxy-1-phenyl-4,4,4-trichloro-?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanone, 2,2-dimethyl-3-hydroxy-1-phenyl-4,4,4-trichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.