4-(3-Hydroxy-4,4-dimethylpent-1-enyl)benzene-1,2-diol
TL;DR: 4-(3-Hydroxy-4,4-dimethylpent-1-enyl)benzene-1,2-diol (CAS 66596-49-4) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-hydroxy-4,4-dimethylpent-1-enyl)benzene-1,2-diol
Also Known As: 4-(4,4-Dimethyl-3-hydroxy-1-pentenyl)pyrocatechol, Pyrocatechol, 4-(4,4-dimethyl-3-hydroxy-1-pentenyl)-, 1,2-Benzenediol, 4-(3-hydroxy-4,4-dimethyl-1-pentenyl)-
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 2.518 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 388.65445 |
Chemical Identifiers
| CAS Number | 66596-49-4 |
|---|---|
| SMILES | CC(C)(C)C(C=CC1=CC(=C(C=C1)O)O)O |
Product Overview
4-(3-Hydroxy-4,4-dimethylpent-1-enyl)benzene-1,2-diol (CAS 66596-49-4), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: 4-(3-hydroxy-4,4-dimethylpent-1-enyl)benzene-1,2-diol.
Chemical Property Profile of 4-(3-Hydroxy-4,4-dimethylpent-1-enyl)benzene-1,2-diol
Property Insights of 4-(3-Hydroxy-4,4-dimethylpent-1-enyl)benzene-1,2-diol
The XLogP value of 2.518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Hydroxy-4,4-dimethylpent-1-enyl)benzene-1,2-diol. The TPSA of 60.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Hydroxy-4,4-dimethylpent-1-enyl)benzene-1,2-diol. Following Lipinski's Rule of Five, 4-(3-Hydroxy-4,4-dimethylpent-1-enyl)benzene-1,2-diol has 3 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 4-(3-Hydroxy-4,4-dimethylpent-1-enyl)benzene-1,2-diol?
The CAS number of 4-(3-Hydroxy-4,4-dimethylpent-1-enyl)benzene-1,2-diol is 66596-49-4.
What is the molecular formula of 4-(3-Hydroxy-4,4-dimethylpent-1-enyl)benzene-1,2-diol?
The molecular formula of 4-(3-Hydroxy-4,4-dimethylpent-1-enyl)benzene-1,2-diol is C13H18O3.
What is the molecular weight of 4-(3-Hydroxy-4,4-dimethylpent-1-enyl)benzene-1,2-diol?
The molecular weight of 4-(3-Hydroxy-4,4-dimethylpent-1-enyl)benzene-1,2-diol is 222.13 g/mol.
Where can I buy 4-(3-Hydroxy-4,4-dimethylpent-1-enyl)benzene-1,2-diol?
You can request a quote for 4-(3-Hydroxy-4,4-dimethylpent-1-enyl)benzene-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Hydroxy-4,4-dimethylpent-1-enyl)benzene-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Hydroxy-4,4-dimethylpent-1-enyl)benzene-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.