2,3-Bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol
TL;DR: 2,3-Bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol (CAS 4621-68-5) 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.
2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol
Also Known As: Dihydrocubebin, (-)-Dihydrocubebin, MEGxp0_001537, ACon1_001264, 2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol
| Molecular Formula | C20H22O6 |
|---|---|
| Molecular Weight | 358.14 g/mol |
| LogP | 2.1462 |
| Topological Polar Surface Area | 77.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.14163 |
| Heavy Atoms | 26 |
| Complexity | 709.3919 |
Chemical Identifiers
| CAS Number | 4621-68-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CC(CO)C(CC3=CC4=C(C=C3)OCO4)CO |
Product Overview
2,3-Bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol (CAS 4621-68-5), with molecular formula C20H22O6 and molecular weight 358.14 g/mol. IUPAC: 2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol.
Chemical Property Profile of 2,3-Bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol
Property Insights of 2,3-Bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol
The XLogP value of 2.1462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol. The TPSA of 77.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol. Following Lipinski's Rule of Five, 2,3-Bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol 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 2,3-Bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol?
The CAS number of 2,3-Bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol is 4621-68-5.
What is the molecular formula of 2,3-Bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol?
The molecular formula of 2,3-Bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol is C20H22O6.
What is the molecular weight of 2,3-Bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol?
The molecular weight of 2,3-Bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol is 358.14 g/mol.
Where can I buy 2,3-Bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol?
You can request a quote for 2,3-Bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.