荜澄茄素
TL;DR: 荜澄茄素 (CAS 18423-69-3) is a chemical compound with molecular formula C20H20O6 and molecular weight 356.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
荜澄茄素
(2S,3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-ol
Also Known As: Cubebin, (-)-Cubebin, beta-cubebin, Cubebine, .beta.-Cubebin
| Molecular Formula | C20H20O6 |
|---|---|
| Molecular Weight | 356.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.12598 |
| Heavy Atoms | 26 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 18423-69-3 |
|---|---|
| SMILES | C1[C@@H]([C@H]([C@H](O1)O)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5 |
| InChIKey | DIYWRNLYKJKHAM-MDOVXXIYSA-N |
Product Overview
荜澄茄素 (CAS 18423-69-3), with molecular formula C20H20O6 and molecular weight 356.13 g/mol. IUPAC: (2S,3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-ol.
Chemical Property Profile of 荜澄茄素
Property Insights of 荜澄茄素
The XLogP value of 3.4 indicates that 荜澄茄素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 荜澄茄素. Following Lipinski's Rule of Five, 荜澄茄素 has 1 hydrogen bond donor(s) and 6 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 荜澄茄素?
The CAS number of 荜澄茄素 is 18423-69-3.
What is the molecular formula of 荜澄茄素?
The molecular formula of 荜澄茄素 is C20H20O6.
What is the molecular weight of 荜澄茄素?
The molecular weight of 荜澄茄素 is 356.13 g/mol.
Where can I buy 荜澄茄素?
You can request a quote for 荜澄茄素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 荜澄茄素?
Yes, KEHONG BIO provides custom synthesis services for 荜澄茄素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.