2,2-Dimethyl-1-phenylbutan-1-one
TL;DR: 2,2-Dimethyl-1-phenylbutan-1-one (CAS 829-10-7) is a chemical compound with molecular formula C12H16O and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-1-phenylbutan-1-one
Also Known As: 2,2-dimethyl-1-phenylbutan-1-one, 2,2-Dimethylbutyrophenone, 1-Butanone, 2,2-dimethyl-1-phenyl-, 2,2-dimethyl-1-phenylbutanone, 2,2-dimethyl-1-phenyl-butan-1-one
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 3.3055 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 285.2526 |
Chemical Identifiers
| CAS Number | 829-10-7 |
|---|---|
| SMILES | CCC(C)(C)C(=O)C1=CC=CC=C1 |
Product Overview
2,2-Dimethyl-1-phenylbutan-1-one (CAS 829-10-7), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 2,2-dimethyl-1-phenylbutan-1-one.
Chemical Property Profile of 2,2-Dimethyl-1-phenylbutan-1-one
Property Insights of 2,2-Dimethyl-1-phenylbutan-1-one
The XLogP value of 3.3055 indicates that 2,2-Dimethyl-1-phenylbutan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 2,2-Dimethyl-1-phenylbutan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-1-phenylbutan-1-one has 0 hydrogen bond donor(s) and 1 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 2,2-Dimethyl-1-phenylbutan-1-one?
The CAS number of 2,2-Dimethyl-1-phenylbutan-1-one is 829-10-7.
What is the molecular formula of 2,2-Dimethyl-1-phenylbutan-1-one?
The molecular formula of 2,2-Dimethyl-1-phenylbutan-1-one is C12H16O.
What is the molecular weight of 2,2-Dimethyl-1-phenylbutan-1-one?
The molecular weight of 2,2-Dimethyl-1-phenylbutan-1-one is 176.12 g/mol.
Where can I buy 2,2-Dimethyl-1-phenylbutan-1-one?
You can request a quote for 2,2-Dimethyl-1-phenylbutan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-1-phenylbutan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-1-phenylbutan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.