Isoadhumulone
TL;DR: Isoadhumulone (CAS 25422-83-7) is a chemical compound with molecular formula C21H30O5 and molecular weight 362.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydroxy-2-(2-methylbutanoyl)-5-(3-methylbut-2-enyl)-4-(4-methylpent-3-enoyl)cyclopent-2-en-1-one
Also Known As: Isoadhumulone, iso-adhumulone, trans-Isoadhumulone, 3,4-dihydroxy-5-2-4- cyclopent-2-en-1-one, 3,4-dihydroxy-5- -2- -4- cyclopent-2-en-1-one
| Molecular Formula | C21H30O5 |
|---|---|
| Molecular Weight | 362.21 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 362.20932 |
| Heavy Atoms | 26 |
| Complexity | 687.0 |
Chemical Identifiers
| CAS Number | 25422-83-7 |
|---|---|
| SMILES | CCC(C)C(=O)C1=C(C(C(C1=O)CC=C(C)C)(C(=O)CC=C(C)C)O)O |
| InChIKey | QHRQNLXYMFCGPB-UHFFFAOYSA-N |
Product Overview
Isoadhumulone (CAS 25422-83-7), with molecular formula C21H30O5 and molecular weight 362.21 g/mol. IUPAC: 3,4-dihydroxy-2-(2-methylbutanoyl)-5-(3-methylbut-2-enyl)-4-(4-methylpent-3-enoyl)cyclopent-2-en-1-one.
Chemical Property Profile of Isoadhumulone
Property Insights of Isoadhumulone
The XLogP value of 4.0 indicates that Isoadhumulone 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 Isoadhumulone. Following Lipinski's Rule of Five, Isoadhumulone 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 Isoadhumulone?
The CAS number of Isoadhumulone is 25422-83-7.
What is the molecular formula of Isoadhumulone?
The molecular formula of Isoadhumulone is C21H30O5.
What is the molecular weight of Isoadhumulone?
The molecular weight of Isoadhumulone is 362.21 g/mol.
Where can I buy Isoadhumulone?
You can request a quote for Isoadhumulone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoadhumulone?
Yes, KEHONG BIO provides custom synthesis services for Isoadhumulone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.