Oxyhumulinic acid
TL;DR: Oxyhumulinic acid (CAS 469-30-7) is a chemical compound with molecular formula C15H22O5 and molecular weight 282.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trihydroxy-2-(3-methylbutanoyl)-4-(3-methylbut-2-enyl)cyclopent-2-en-1-one
Also Known As: Oxyhumulinic acid, 2-Cyclopenten-1-one, 3,4,5-trihydroxy-2-isovaleryl-5-(3-methyl-2-butenyl)-, 3,4,5-trihydroxy-2-(3-methylbutanoyl)-4-(3-methylbut-2-enyl)cyclopent-2-en-1-one, 3,4,5-Trihydroxy-5-(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-2-cyclopenten-1-one, 2-Cyclopenten-1-one, 3,4,5-trihydroxy-5-(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-
| Molecular Formula | C15H22O5 |
|---|---|
| Molecular Weight | 282.15 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.14673 |
| Heavy Atoms | 20 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 469-30-7 |
|---|---|
| SMILES | CC(C)CC(=O)C1=C(C(C(C1=O)O)(CC=C(C)C)O)O |
| InChIKey | REXRUHLKSLKZFM-UHFFFAOYSA-N |
Product Overview
Oxyhumulinic acid (CAS 469-30-7), with molecular formula C15H22O5 and molecular weight 282.15 g/mol. IUPAC: 3,4,5-trihydroxy-2-(3-methylbutanoyl)-4-(3-methylbut-2-enyl)cyclopent-2-en-1-one.
Chemical Property Profile of Oxyhumulinic acid
Property Insights of Oxyhumulinic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxyhumulinic acid. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxyhumulinic acid. Following Lipinski's Rule of Five, Oxyhumulinic acid has 3 hydrogen bond donor(s) and 5 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 Oxyhumulinic acid?
The CAS number of Oxyhumulinic acid is 469-30-7.
What is the molecular formula of Oxyhumulinic acid?
The molecular formula of Oxyhumulinic acid is C15H22O5.
What is the molecular weight of Oxyhumulinic acid?
The molecular weight of Oxyhumulinic acid is 282.15 g/mol.
Where can I buy Oxyhumulinic acid?
You can request a quote for Oxyhumulinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxyhumulinic acid?
Yes, KEHONG BIO provides custom synthesis services for Oxyhumulinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.