1-(2,4-Dihydroxy-3-methylphenyl)-3-methylbutane-1,2-dione
TL;DR: 1-(2,4-Dihydroxy-3-methylphenyl)-3-methylbutane-1,2-dione (CAS 501005-70-5) 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-dihydroxy-3-methylphenyl)-3-methylbutane-1,2-dione
Also Known As: 1,2-Butanedione,1- -3-methyl-, 1-(2,4-Dihydroxy-3-methylphenyl)-3-methyl-1,2-butanedione, 1-(2,4-dihydroxy-3-methylphenyl)-3-methylbutane-1,2-dione, 1,2-Butanedione, 1-(2,4-dihydroxy-3-methylphenyl)-3-methyl- (9CI)
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 501005-70-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1O)C(=O)C(=O)C(C)C)O |
| InChIKey | ZKOQAOHEUDWMGL-UHFFFAOYSA-N |
Product Overview
1-(2,4-Dihydroxy-3-methylphenyl)-3-methylbutane-1,2-dione (CAS 501005-70-5), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 1-(2,4-dihydroxy-3-methylphenyl)-3-methylbutane-1,2-dione.
Chemical Property Profile of 1-(2,4-Dihydroxy-3-methylphenyl)-3-methylbutane-1,2-dione
Property Insights of 1-(2,4-Dihydroxy-3-methylphenyl)-3-methylbutane-1,2-dione
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,4-Dihydroxy-3-methylphenyl)-3-methylbutane-1,2-dione. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,4-Dihydroxy-3-methylphenyl)-3-methylbutane-1,2-dione. Following Lipinski's Rule of Five, 1-(2,4-Dihydroxy-3-methylphenyl)-3-methylbutane-1,2-dione 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-(2,4-Dihydroxy-3-methylphenyl)-3-methylbutane-1,2-dione?
The CAS number of 1-(2,4-Dihydroxy-3-methylphenyl)-3-methylbutane-1,2-dione is 501005-70-5.
What is the molecular formula of 1-(2,4-Dihydroxy-3-methylphenyl)-3-methylbutane-1,2-dione?
The molecular formula of 1-(2,4-Dihydroxy-3-methylphenyl)-3-methylbutane-1,2-dione is C12H14O4.
What is the molecular weight of 1-(2,4-Dihydroxy-3-methylphenyl)-3-methylbutane-1,2-dione?
The molecular weight of 1-(2,4-Dihydroxy-3-methylphenyl)-3-methylbutane-1,2-dione is 222.09 g/mol.
Where can I buy 1-(2,4-Dihydroxy-3-methylphenyl)-3-methylbutane-1,2-dione?
You can request a quote for 1-(2,4-Dihydroxy-3-methylphenyl)-3-methylbutane-1,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-Dihydroxy-3-methylphenyl)-3-methylbutane-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-Dihydroxy-3-methylphenyl)-3-methylbutane-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.