1,3-Pentanedione, 2,4,4-trimethyl-1-phenyl-
TL;DR: 1,3-Pentanedione, 2,4,4-trimethyl-1-phenyl- (CAS 106596-69-4) is a chemical compound with molecular formula C14H18O2 and molecular weight 218.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,4-trimethyl-1-phenylpentane-1,3-dione
Also Known As: 1,3-Pentanedione, 2,4,4-trimethyl-1-phenyl-, 2,4,4-trimethyl-1-phenylpentane-1,3-dione, 2,4,4-Trimethyl-1-phenyl-1,3-pentanedione, 2,4,4-Trimethyl-1-phenyl-1,3-pentanedione #, RefChem:219418
| Molecular Formula | C14H18O2 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.13068 |
| Heavy Atoms | 16 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 106596-69-4 |
|---|---|
| SMILES | CC(C(=O)C1=CC=CC=C1)C(=O)C(C)(C)C |
| InChIKey | IJGILMHSYIOLMA-UHFFFAOYSA-N |
Product Overview
1,3-Pentanedione, 2,4,4-trimethyl-1-phenyl- (CAS 106596-69-4), with molecular formula C14H18O2 and molecular weight 218.13 g/mol. IUPAC: 2,4,4-trimethyl-1-phenylpentane-1,3-dione.
Chemical Property Profile of 1,3-Pentanedione, 2,4,4-trimethyl-1-phenyl-
Property Insights of 1,3-Pentanedione, 2,4,4-trimethyl-1-phenyl-
The XLogP value of 3.5 indicates that 1,3-Pentanedione, 2,4,4-trimethyl-1-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 1,3-Pentanedione, 2,4,4-trimethyl-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Pentanedione, 2,4,4-trimethyl-1-phenyl- has 0 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 1,3-Pentanedione, 2,4,4-trimethyl-1-phenyl-?
The CAS number of 1,3-Pentanedione, 2,4,4-trimethyl-1-phenyl- is 106596-69-4.
What is the molecular formula of 1,3-Pentanedione, 2,4,4-trimethyl-1-phenyl-?
The molecular formula of 1,3-Pentanedione, 2,4,4-trimethyl-1-phenyl- is C14H18O2.
What is the molecular weight of 1,3-Pentanedione, 2,4,4-trimethyl-1-phenyl-?
The molecular weight of 1,3-Pentanedione, 2,4,4-trimethyl-1-phenyl- is 218.13 g/mol.
Where can I buy 1,3-Pentanedione, 2,4,4-trimethyl-1-phenyl-?
You can request a quote for 1,3-Pentanedione, 2,4,4-trimethyl-1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Pentanedione, 2,4,4-trimethyl-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Pentanedione, 2,4,4-trimethyl-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.