1-(3,4-Dihydroxyphenyl)-4,4-dimethylpent-1-en-3-one
TL;DR: 1-(3,4-Dihydroxyphenyl)-4,4-dimethylpent-1-en-3-one (CAS 66596-39-2) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydroxyphenyl)-4,4-dimethylpent-1-en-3-one
Also Known As: 4-(tert-Butylcarbonylvinyl)pyrocatechol, Pyrocatechol, 4-(tert-butylcarbonylvinyl)-, 1-Penten-3-one, 1-(3,4-dihydroxyphenyl)-4,4-dimethyl-
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 2.7262 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 425.29413 |
Chemical Identifiers
| CAS Number | 66596-39-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)C=CC1=CC(=C(C=C1)O)O |
Product Overview
1-(3,4-Dihydroxyphenyl)-4,4-dimethylpent-1-en-3-one (CAS 66596-39-2), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: 1-(3,4-dihydroxyphenyl)-4,4-dimethylpent-1-en-3-one.
Chemical Property Profile of 1-(3,4-Dihydroxyphenyl)-4,4-dimethylpent-1-en-3-one
Property Insights of 1-(3,4-Dihydroxyphenyl)-4,4-dimethylpent-1-en-3-one
The XLogP value of 2.7262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Dihydroxyphenyl)-4,4-dimethylpent-1-en-3-one. With a topological polar surface area (TPSA) of 57.53 Ų, 1-(3,4-Dihydroxyphenyl)-4,4-dimethylpent-1-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dihydroxyphenyl)-4,4-dimethylpent-1-en-3-one has 2 hydrogen bond donor(s) and 3 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-(3,4-Dihydroxyphenyl)-4,4-dimethylpent-1-en-3-one?
The CAS number of 1-(3,4-Dihydroxyphenyl)-4,4-dimethylpent-1-en-3-one is 66596-39-2.
What is the molecular formula of 1-(3,4-Dihydroxyphenyl)-4,4-dimethylpent-1-en-3-one?
The molecular formula of 1-(3,4-Dihydroxyphenyl)-4,4-dimethylpent-1-en-3-one is C13H16O3.
What is the molecular weight of 1-(3,4-Dihydroxyphenyl)-4,4-dimethylpent-1-en-3-one?
The molecular weight of 1-(3,4-Dihydroxyphenyl)-4,4-dimethylpent-1-en-3-one is 220.11 g/mol.
Where can I buy 1-(3,4-Dihydroxyphenyl)-4,4-dimethylpent-1-en-3-one?
You can request a quote for 1-(3,4-Dihydroxyphenyl)-4,4-dimethylpent-1-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dihydroxyphenyl)-4,4-dimethylpent-1-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dihydroxyphenyl)-4,4-dimethylpent-1-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.