蛇麻酮
TL;DR: 蛇麻酮 (CAS 468-28-0) is a chemical compound with molecular formula C26H38O4 and molecular weight 414.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
蛇麻酮
3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
Also Known As: Lupulone, Lupulon, beta-Lupulic acid, beta-Bitter acid, Lupolon
| Molecular Formula | C26H38O4 |
|---|---|
| Molecular Weight | 414.28 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 414.277 |
| Heavy Atoms | 30 |
| Complexity | 812.0 |
Chemical Identifiers
| CAS Number | 468-28-0 |
|---|---|
| SMILES | CC(C)CC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O |
| InChIKey | LSDULPZJLTZEFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
蛇麻酮 (CAS 468-28-0), with molecular formula C26H38O4 and molecular weight 414.28 g/mol. IUPAC: 3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one.
Chemical Property Profile of 蛇麻酮
Property Insights of 蛇麻酮
The XLogP value of 6.7 indicates that 蛇麻酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 蛇麻酮. Following Lipinski's Rule of Five, 蛇麻酮 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 蛇麻酮?
The CAS number of 蛇麻酮 is 468-28-0.
What is the molecular formula of 蛇麻酮?
The molecular formula of 蛇麻酮 is C26H38O4.
What is the molecular weight of 蛇麻酮?
The molecular weight of 蛇麻酮 is 414.28 g/mol.
Where can I buy 蛇麻酮?
You can request a quote for 蛇麻酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 蛇麻酮?
Yes, KEHONG BIO provides custom synthesis services for 蛇麻酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.