TETRAHYDROISOHUMULONE
TL;DR: TETRAHYDROISOHUMULONE (CAS 22748-57-8) is a chemical compound with molecular formula C21H34O5 and molecular weight 366.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydroxy-2-(3-methylbutanoyl)-5-(3-methylbutyl)-4-(4-methylpentanoyl)cyclopent-2-en-1-one
Also Known As: TETRAHYDROISOHUMULONE, 3,4-dihydroxy-2-(3-methylbutanoyl)-5-(3-methylbutyl)-4-(4-methylpentanoyl)cyclopent-2-en-1-one, 3,4-Dihydroxy-5-(3-methylbutyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxopentyl)cyclopent-2-en-1-one, 2-(3-Methylbutanoyl)-3,4-dihydroxy-4-(4-methylpentanoyl)-5-(3-methylbutyl)-2-cyclopentene-1-one, 2-(3-Methylbutyryl)-3,4-dihydroxy-5-(3-methylbutyl)-4-(4-methylpentanoyl)-2-cyclopentene-1-one
| Molecular Formula | C21H34O5 |
|---|---|
| Molecular Weight | 366.24 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 366.24063 |
| Heavy Atoms | 26 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 22748-57-8 |
|---|---|
| SMILES | CC(C)CCC1C(=O)C(=C(C1(C(=O)CCC(C)C)O)O)C(=O)CC(C)C |
| InChIKey | JIZQRWKUYFNSDM-UHFFFAOYSA-N |
Product Overview
TETRAHYDROISOHUMULONE (CAS 22748-57-8), with molecular formula C21H34O5 and molecular weight 366.24 g/mol. IUPAC: 3,4-dihydroxy-2-(3-methylbutanoyl)-5-(3-methylbutyl)-4-(4-methylpentanoyl)cyclopent-2-en-1-one.
Chemical Property Profile of TETRAHYDROISOHUMULONE
Property Insights of TETRAHYDROISOHUMULONE
The XLogP value of 4.1 indicates that TETRAHYDROISOHUMULONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for TETRAHYDROISOHUMULONE. Following Lipinski's Rule of Five, TETRAHYDROISOHUMULONE has 2 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 TETRAHYDROISOHUMULONE?
The CAS number of TETRAHYDROISOHUMULONE is 22748-57-8.
What is the molecular formula of TETRAHYDROISOHUMULONE?
The molecular formula of TETRAHYDROISOHUMULONE is C21H34O5.
What is the molecular weight of TETRAHYDROISOHUMULONE?
The molecular weight of TETRAHYDROISOHUMULONE is 366.24 g/mol.
Where can I buy TETRAHYDROISOHUMULONE?
You can request a quote for TETRAHYDROISOHUMULONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TETRAHYDROISOHUMULONE?
Yes, KEHONG BIO provides custom synthesis services for TETRAHYDROISOHUMULONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.