4,4-Dimethyl-1-phenyl-1,3-pentanedione
TL;DR: 4,4-Dimethyl-1-phenyl-1,3-pentanedione (CAS 13988-67-5) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-1-phenylpentane-1,3-dione
Also Known As: 4,4-dimethyl-1-phenylpentane-1,3-dione, benzoylpivaloylmethane, 1,3-Pentanedione, 4,4-dimethyl-1-phenyl-, 4,4-Dimethyl-1-phenyl-1,3-pentanedione, 2-(tert-butylcarbonyl)acetophenone
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 13988-67-5 |
|---|---|
| SMILES | CC(C)(C)C(=O)CC(=O)C1=CC=CC=C1 |
| InChIKey | HORVLKADAZQYRS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4-Dimethyl-1-phenyl-1,3-pentanedione (CAS 13988-67-5), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: 4,4-dimethyl-1-phenylpentane-1,3-dione.
Chemical Property Profile of 4,4-Dimethyl-1-phenyl-1,3-pentanedione
Property Insights of 4,4-Dimethyl-1-phenyl-1,3-pentanedione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethyl-1-phenyl-1,3-pentanedione. With a topological polar surface area (TPSA) of 34.1 Ų, 4,4-Dimethyl-1-phenyl-1,3-pentanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethyl-1-phenyl-1,3-pentanedione 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 4,4-Dimethyl-1-phenyl-1,3-pentanedione?
The CAS number of 4,4-Dimethyl-1-phenyl-1,3-pentanedione is 13988-67-5.
What is the molecular formula of 4,4-Dimethyl-1-phenyl-1,3-pentanedione?
The molecular formula of 4,4-Dimethyl-1-phenyl-1,3-pentanedione is C13H16O2.
What is the molecular weight of 4,4-Dimethyl-1-phenyl-1,3-pentanedione?
The molecular weight of 4,4-Dimethyl-1-phenyl-1,3-pentanedione is 204.12 g/mol.
Where can I buy 4,4-Dimethyl-1-phenyl-1,3-pentanedione?
You can request a quote for 4,4-Dimethyl-1-phenyl-1,3-pentanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-1-phenyl-1,3-pentanedione?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-1-phenyl-1,3-pentanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.