![1,3-Butanedione, 1-[4-(1-methylethyl)phenyl]- structure](/static/products/2968/29681-96-7.webp)
1,3-Butanedione, 1-[4-(1-methylethyl)phenyl]-
TL;DR: 1,3-Butanedione, 1-[4-(1-methylethyl)phenyl]- (CAS 29681-96-7) 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.
1-(4-propan-2-ylphenyl)butane-1,3-dione
Also Known As: 4-Isopropylbenzoylaceton, 1-(4-propan-2-ylphenyl)butane-1,3-dione, 1-[4-(propan-2-yl)phenyl]butane-1,3-dione, 1,3-Butanedione, 1-[4-(1-methylethyl)phenyl]-, 1-(4-isopropylphenyl)-1,3-butanedione
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 2.9718 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 360.62726 |
Chemical Identifiers
| CAS Number | 29681-96-7 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(=O)CC(=O)C |
Product Overview
1,3-Butanedione, 1-[4-(1-methylethyl)phenyl]- (CAS 29681-96-7), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: 1-(4-propan-2-ylphenyl)butane-1,3-dione.
Chemical Property Profile of 1,3-Butanedione, 1-[4-(1-methylethyl)phenyl]-
Property Insights of 1,3-Butanedione, 1-[4-(1-methylethyl)phenyl]-
The XLogP value of 2.9718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Butanedione, 1-[4-(1-methylethyl)phenyl]-. With a topological polar surface area (TPSA) of 34.14 Ų, 1,3-Butanedione, 1-[4-(1-methylethyl)phenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Butanedione, 1-[4-(1-methylethyl)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-Butanedione, 1-[4-(1-methylethyl)phenyl]-?
The CAS number of 1,3-Butanedione, 1-[4-(1-methylethyl)phenyl]- is 29681-96-7.
What is the molecular formula of 1,3-Butanedione, 1-[4-(1-methylethyl)phenyl]-?
The molecular formula of 1,3-Butanedione, 1-[4-(1-methylethyl)phenyl]- is C13H16O2.
What is the molecular weight of 1,3-Butanedione, 1-[4-(1-methylethyl)phenyl]-?
The molecular weight of 1,3-Butanedione, 1-[4-(1-methylethyl)phenyl]- is 204.12 g/mol.
Where can I buy 1,3-Butanedione, 1-[4-(1-methylethyl)phenyl]-?
You can request a quote for 1,3-Butanedione, 1-[4-(1-methylethyl)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-Butanedione, 1-[4-(1-methylethyl)phenyl]-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Butanedione, 1-[4-(1-methylethyl)phenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.