欧夏至草素
TL;DR: 欧夏至草素 (CAS 465-92-9) is a chemical compound with molecular formula C20H28O4 and molecular weight 332.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
欧夏至草素
(1R,4S,8S,9R,10R,12R)-9-[2-(furan-3-yl)ethyl]-9-hydroxy-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one
Also Known As: Marrubiin, Marrubium bitter, MARRUBIN, Marrubiin CRS, (+)-Marrubiin
| Molecular Formula | C20H28O4 |
|---|---|
| Molecular Weight | 332.20 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.19876 |
| Heavy Atoms | 24 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 465-92-9 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]2[C@H]3[C@](CCC[C@@]3([C@]1(CCC4=COC=C4)O)C)(C(=O)O2)C |
| InChIKey | HQLLRHCTVDVUJB-OBHOOXMTSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
欧夏至草素 (CAS 465-92-9), with molecular formula C20H28O4 and molecular weight 332.20 g/mol. IUPAC: (1R,4S,8S,9R,10R,12R)-9-[2-(furan-3-yl)ethyl]-9-hydroxy-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one.
Chemical Property Profile of 欧夏至草素
Property Insights of 欧夏至草素
The XLogP value of 3.7 indicates that 欧夏至草素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.7 Ų, 欧夏至草素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 欧夏至草素 has 1 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 欧夏至草素?
The CAS number of 欧夏至草素 is 465-92-9.
What is the molecular formula of 欧夏至草素?
The molecular formula of 欧夏至草素 is C20H28O4.
What is the molecular weight of 欧夏至草素?
The molecular weight of 欧夏至草素 is 332.20 g/mol.
Where can I buy 欧夏至草素?
You can request a quote for 欧夏至草素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 欧夏至草素?
Yes, KEHONG BIO provides custom synthesis services for 欧夏至草素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.