1-(4-Tert-butyl-2,6-dimethylphenyl)-3-phenylbutan-2-one
TL;DR: 1-(4-Tert-butyl-2,6-dimethylphenyl)-3-phenylbutan-2-one (CAS 29549-18-6) is a chemical compound with molecular formula C22H28O and molecular weight 308.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-tert-butyl-2,6-dimethylphenyl)-3-phenylbutan-2-one
Also Known As: 1-(4-tert-butyl-2,6-dimethylphenyl)-3-phenylbutan-2-one, 2-Butanone, 1-(4-tert-butyl-2,6-xylyl)-3-phenyl-, 1-(4-tert-Butyl-2,6-xylyl)-3-phenyl-2-butanone, 1-(4-tert-Butyl-2,6-dimethylphenyl)-3-phenyl-2-butanone, 1-(4-tert-Butyl-2,6-dimethylphenyl)-3-phenyl-2-butanone #
| Molecular Formula | C22H28O |
|---|---|
| Molecular Weight | 308.21 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.21402 |
| Heavy Atoms | 23 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 29549-18-6 |
|---|---|
| SMILES | CC1=CC(=CC(=C1CC(=O)C(C)C2=CC=CC=C2)C)C(C)(C)C |
| InChIKey | OOVFRWWFJOSTLC-UHFFFAOYSA-N |
Product Overview
1-(4-Tert-butyl-2,6-dimethylphenyl)-3-phenylbutan-2-one (CAS 29549-18-6), with molecular formula C22H28O and molecular weight 308.21 g/mol. IUPAC: 1-(4-tert-butyl-2,6-dimethylphenyl)-3-phenylbutan-2-one.
Chemical Property Profile of 1-(4-Tert-butyl-2,6-dimethylphenyl)-3-phenylbutan-2-one
Property Insights of 1-(4-Tert-butyl-2,6-dimethylphenyl)-3-phenylbutan-2-one
The XLogP value of 6.1 indicates that 1-(4-Tert-butyl-2,6-dimethylphenyl)-3-phenylbutan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(4-Tert-butyl-2,6-dimethylphenyl)-3-phenylbutan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Tert-butyl-2,6-dimethylphenyl)-3-phenylbutan-2-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-Tert-butyl-2,6-dimethylphenyl)-3-phenylbutan-2-one?
The CAS number of 1-(4-Tert-butyl-2,6-dimethylphenyl)-3-phenylbutan-2-one is 29549-18-6.
What is the molecular formula of 1-(4-Tert-butyl-2,6-dimethylphenyl)-3-phenylbutan-2-one?
The molecular formula of 1-(4-Tert-butyl-2,6-dimethylphenyl)-3-phenylbutan-2-one is C22H28O.
What is the molecular weight of 1-(4-Tert-butyl-2,6-dimethylphenyl)-3-phenylbutan-2-one?
The molecular weight of 1-(4-Tert-butyl-2,6-dimethylphenyl)-3-phenylbutan-2-one is 308.21 g/mol.
Where can I buy 1-(4-Tert-butyl-2,6-dimethylphenyl)-3-phenylbutan-2-one?
You can request a quote for 1-(4-Tert-butyl-2,6-dimethylphenyl)-3-phenylbutan-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-(4-Tert-butyl-2,6-dimethylphenyl)-3-phenylbutan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Tert-butyl-2,6-dimethylphenyl)-3-phenylbutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.