贯叶金丝桃素
TL;DR: 贯叶金丝桃素 (CAS 11079-53-1) is a chemical compound with molecular formula C35H52O4 and molecular weight 536.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
贯叶金丝桃素
4-hydroxy-8-methyl-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione
Also Known As: hyperforin, Acurea, hiperforina, hyperforine, tetrahydrohyperforin
| Molecular Formula | C35H52O4 |
|---|---|
| Molecular Weight | 536.39 g/mol |
| LogP | 9.6 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 536.38654 |
| Heavy Atoms | 39 |
| Complexity | 1140.0 |
| Melting Point | 79 - 80 °C |
Chemical Identifiers
| CAS Number | 11079-53-1 |
|---|---|
| SMILES | CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C |
| InChIKey | KGSZHKRKHXOAMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
贯叶金丝桃素 (CAS 11079-53-1), with molecular formula C35H52O4 and molecular weight 536.39 g/mol. IUPAC: 4-hydroxy-8-methyl-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione.
Chemical Property Profile of 贯叶金丝桃素
Property Insights of 贯叶金丝桃素
The XLogP value of 9.6 indicates that 贯叶连翘素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 贯叶金丝桃素. Following Lipinski's Rule of Five, 贯叶连翘素 has 1 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 贯叶连翘素?
The CAS number of 贯叶连翘素 is 11079-53-1.
What is the molecular formula of 贯叶连翘素?
The molecular formula of 贯叶连翘素 is C35H52O4.
What is the molecular weight of 贯叶连翘素?
The molecular weight of 贯叶连翘素 is 536.39 g/mol.
Where can I buy 贯叶连翘素?
You can request a quote for 贯叶连翘素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 贯叶连翘素?
Yes, KEHONG BIO provides custom synthesis services for 贯叶连翘素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.