1,2-Hexanedione, 1-(2,4-dihydroxyphenyl)-
TL;DR: 1,2-Hexanedione, 1-(2,4-dihydroxyphenyl)- (CAS 501005-68-1) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dihydroxyphenyl)hexane-1,2-dione
Also Known As: 1-(2,4-dihydroxyphenyl)hexane-1,2-dione, 1,2-HEXANEDIONE, 1-(2,4-DIHYDROXYPHENYL)-, 1,2-Hexanedione, 1-(2,4-dihydroxyphenyl)- (9CI)
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 501005-68-1 |
|---|---|
| SMILES | CCCCC(=O)C(=O)C1=C(C=C(C=C1)O)O |
| InChIKey | KNOULTNCRFHHED-UHFFFAOYSA-N |
Product Overview
1,2-Hexanedione, 1-(2,4-dihydroxyphenyl)- (CAS 501005-68-1), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 1-(2,4-dihydroxyphenyl)hexane-1,2-dione.
Chemical Property Profile of 1,2-Hexanedione, 1-(2,4-dihydroxyphenyl)-
Property Insights of 1,2-Hexanedione, 1-(2,4-dihydroxyphenyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Hexanedione, 1-(2,4-dihydroxyphenyl)-. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Hexanedione, 1-(2,4-dihydroxyphenyl)-. Following Lipinski's Rule of Five, 1,2-Hexanedione, 1-(2,4-dihydroxyphenyl)- has 2 hydrogen bond donor(s) and 4 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 1,2-Hexanedione, 1-(2,4-dihydroxyphenyl)-?
The CAS number of 1,2-Hexanedione, 1-(2,4-dihydroxyphenyl)- is 501005-68-1.
What is the molecular formula of 1,2-Hexanedione, 1-(2,4-dihydroxyphenyl)-?
The molecular formula of 1,2-Hexanedione, 1-(2,4-dihydroxyphenyl)- is C12H14O4.
What is the molecular weight of 1,2-Hexanedione, 1-(2,4-dihydroxyphenyl)-?
The molecular weight of 1,2-Hexanedione, 1-(2,4-dihydroxyphenyl)- is 222.09 g/mol.
Where can I buy 1,2-Hexanedione, 1-(2,4-dihydroxyphenyl)-?
You can request a quote for 1,2-Hexanedione, 1-(2,4-dihydroxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Hexanedione, 1-(2,4-dihydroxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Hexanedione, 1-(2,4-dihydroxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.