Dihydrocubebin
TL;DR: Dihydrocubebin (CAS 28495-72-9) is a chemical compound with molecular formula C20H22O6 and molecular weight 358.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol
Also Known As: Dihydrocubebin, (-)-Dihydrocubebin, Cubebin, dihydro-, (2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol, 1,4-Butanediol, 2,3-dipiperonyl-, (-)-
| Molecular Formula | C20H22O6 |
|---|---|
| Molecular Weight | 358.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.14163 |
| Heavy Atoms | 26 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 28495-72-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C[C@@H](CO)[C@@H](CC3=CC4=C(C=C3)OCO4)CO |
| InChIKey | JKCVMTYNARDGET-HOTGVXAUSA-N |
Product Overview
Dihydrocubebin (CAS 28495-72-9), with molecular formula C20H22O6 and molecular weight 358.14 g/mol. IUPAC: (2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol.
Chemical Property Profile of Dihydrocubebin
Property Insights of Dihydrocubebin
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dihydrocubebin. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Dihydrocubebin. Following Lipinski's Rule of Five, Dihydrocubebin has 2 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 Dihydrocubebin?
The CAS number of Dihydrocubebin is 28495-72-9.
What is the molecular formula of Dihydrocubebin?
The molecular formula of Dihydrocubebin is C20H22O6.
What is the molecular weight of Dihydrocubebin?
The molecular weight of Dihydrocubebin is 358.14 g/mol.
Where can I buy Dihydrocubebin?
You can request a quote for Dihydrocubebin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydrocubebin?
Yes, KEHONG BIO provides custom synthesis services for Dihydrocubebin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.