1,3-Bis(1,3-benzodioxol-5-yloxy)propan-2-ol
TL;DR: 1,3-Bis(1,3-benzodioxol-5-yloxy)propan-2-ol (CAS 64245-96-1) is a chemical compound with molecular formula C17H16O7 and molecular weight 332.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(1,3-benzodioxol-5-yloxy)propan-2-ol
Also Known As: 1,3-bis(1,3-benzodioxol-5-yloxy)propan-2-ol, 1,3-Bis(1,3-benzodioxol-5-yloxy)-2-propanol #, 2-Propanol, 1,3-bis(1,3-benzodioxol-5-yloxy)-, Propan-2-ol, 1,3-bis(3,4-methylenedioxyphenyl)-, 1,3-Bis[(2H-1,3-benzodioxol-5-yl)oxy]propan-2-ol
| Molecular Formula | C17H16O7 |
|---|---|
| Molecular Weight | 332.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.0896 |
| Heavy Atoms | 24 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 64245-96-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)OCC(COC3=CC4=C(C=C3)OCO4)O |
| InChIKey | SLWOKWCFVQHVHJ-UHFFFAOYSA-N |
Product Overview
1,3-Bis(1,3-benzodioxol-5-yloxy)propan-2-ol (CAS 64245-96-1), with molecular formula C17H16O7 and molecular weight 332.09 g/mol. IUPAC: 1,3-bis(1,3-benzodioxol-5-yloxy)propan-2-ol.
Chemical Property Profile of 1,3-Bis(1,3-benzodioxol-5-yloxy)propan-2-ol
Property Insights of 1,3-Bis(1,3-benzodioxol-5-yloxy)propan-2-ol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis(1,3-benzodioxol-5-yloxy)propan-2-ol. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(1,3-benzodioxol-5-yloxy)propan-2-ol. Following Lipinski's Rule of Five, 1,3-Bis(1,3-benzodioxol-5-yloxy)propan-2-ol has 1 hydrogen bond donor(s) and 7 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 1,3-Bis(1,3-benzodioxol-5-yloxy)propan-2-ol?
The CAS number of 1,3-Bis(1,3-benzodioxol-5-yloxy)propan-2-ol is 64245-96-1.
What is the molecular formula of 1,3-Bis(1,3-benzodioxol-5-yloxy)propan-2-ol?
The molecular formula of 1,3-Bis(1,3-benzodioxol-5-yloxy)propan-2-ol is C17H16O7.
What is the molecular weight of 1,3-Bis(1,3-benzodioxol-5-yloxy)propan-2-ol?
The molecular weight of 1,3-Bis(1,3-benzodioxol-5-yloxy)propan-2-ol is 332.09 g/mol.
Where can I buy 1,3-Bis(1,3-benzodioxol-5-yloxy)propan-2-ol?
You can request a quote for 1,3-Bis(1,3-benzodioxol-5-yloxy)propan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(1,3-benzodioxol-5-yloxy)propan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(1,3-benzodioxol-5-yloxy)propan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.