4-Hydroxy-5-methyl-4-cyclopentene-1,3-dione monohydrate
TL;DR: 4-Hydroxy-5-methyl-4-cyclopentene-1,3-dione monohydrate (CAS 7180-56-5) is a chemical compound with molecular formula C6H6O3 and molecular weight 126.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-5-methylcyclopent-4-ene-1,3-dione
Also Known As: 4-hydroxy-5-methylcyclopent-4-ene-1,3-dione, 4-hydroxy-5-methyl-4-cyclopentene-1,3-dione, 1-Hydroxy-2-methylcyclopentene-3,5-dione, J1.546.611A, 2-hydroxy-3-methyl-cyclopent-2-ene-1,4-dione
| Molecular Formula | C6H6O3 |
|---|---|
| Molecular Weight | 126.03 g/mol |
| LogP | 0.3603 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.03169 |
| Heavy Atoms | 9 |
| Complexity | 190.34286 |
Chemical Identifiers
| CAS Number | 7180-56-5 |
|---|---|
| SMILES | CC1=C(C(=O)CC1=O)O |
Product Overview
4-Hydroxy-5-methyl-4-cyclopentene-1,3-dione monohydrate (CAS 7180-56-5), with molecular formula C6H6O3 and molecular weight 126.03 g/mol. IUPAC: 4-hydroxy-5-methylcyclopent-4-ene-1,3-dione.
Chemical Property Profile of 4-Hydroxy-5-methyl-4-cyclopentene-1,3-dione monohydrate
Property Insights of 4-Hydroxy-5-methyl-4-cyclopentene-1,3-dione monohydrate
The XLogP value of 0.3603 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-5-methyl-4-cyclopentene-1,3-dione monohydrate. With a topological polar surface area (TPSA) of 54.37 Ų, 4-Hydroxy-5-methyl-4-cyclopentene-1,3-dione monohydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-5-methyl-4-cyclopentene-1,3-dione monohydrate has 1 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-Hydroxy-5-methyl-4-cyclopentene-1,3-dione monohydrate?
The CAS number of 4-Hydroxy-5-methyl-4-cyclopentene-1,3-dione monohydrate is 7180-56-5.
What is the molecular formula of 4-Hydroxy-5-methyl-4-cyclopentene-1,3-dione monohydrate?
The molecular formula of 4-Hydroxy-5-methyl-4-cyclopentene-1,3-dione monohydrate is C6H6O3.
What is the molecular weight of 4-Hydroxy-5-methyl-4-cyclopentene-1,3-dione monohydrate?
The molecular weight of 4-Hydroxy-5-methyl-4-cyclopentene-1,3-dione monohydrate is 126.03 g/mol.
Where can I buy 4-Hydroxy-5-methyl-4-cyclopentene-1,3-dione monohydrate?
You can request a quote for 4-Hydroxy-5-methyl-4-cyclopentene-1,3-dione monohydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-5-methyl-4-cyclopentene-1,3-dione monohydrate?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-5-methyl-4-cyclopentene-1,3-dione monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.