Humulinic acid
TL;DR: Humulinic acid (CAS 520-40-1) is a chemical compound with molecular formula C15H22O4 and molecular weight 266.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-[2,3,5-trihydroxy-4-(3-methylbut-2-enyl)cyclopenta-1,4-dien-1-yl]butan-1-one
Also Known As: Humulinic acid, 3-methyl-1-[2,3,5-trihydroxy-4-(3-methylbut-2-enyl)cyclopenta-1,4-dien-1-yl]butan-1-one, 1-Butanone, 3-methyl-1-[2,3,5-trihydroxy-4-(3-methyl-2-butenyl)-1,4-cyclopentadien-1-yl]-, 3-methyl-1-[2,3,5-trihydroxy-4-(3-methylbut-2-en-1-yl)cyclopenta-1,4-dien-1-yl]butan-1-one, 3-Methyl-1-[2,3,5-trihydroxy-4-(3-methyl-2-butenyl)-1,4-cyclopentadien-1-yl]-1-butanone
| Molecular Formula | C15H22O4 |
|---|---|
| Molecular Weight | 266.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.1518 |
| Heavy Atoms | 19 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 520-40-1 |
|---|---|
| SMILES | CC(C)CC(=O)C1=C(C(C(=C1O)CC=C(C)C)O)O |
| InChIKey | VRBDOLKCKSULIG-UHFFFAOYSA-N |
Product Overview
Humulinic acid (CAS 520-40-1), with molecular formula C15H22O4 and molecular weight 266.15 g/mol. IUPAC: 3-methyl-1-[2,3,5-trihydroxy-4-(3-methylbut-2-enyl)cyclopenta-1,4-dien-1-yl]butan-1-one.
Chemical Property Profile of Humulinic acid
Property Insights of Humulinic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Humulinic acid. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Humulinic acid. Following Lipinski's Rule of Five, Humulinic acid has 3 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 Humulinic acid?
The CAS number of Humulinic acid is 520-40-1.
What is the molecular formula of Humulinic acid?
The molecular formula of Humulinic acid is C15H22O4.
What is the molecular weight of Humulinic acid?
The molecular weight of Humulinic acid is 266.15 g/mol.
Where can I buy Humulinic acid?
You can request a quote for Humulinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Humulinic acid?
Yes, KEHONG BIO provides custom synthesis services for Humulinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.