1,3-Benzodioxole, 5,6-di(hydroxymethyl)-
TL;DR: 1,3-Benzodioxole, 5,6-di(hydroxymethyl)- (CAS 78186-60-4) is a chemical compound with molecular formula C9H10O4 and molecular weight 182.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-(hydroxymethyl)-1,3-benzodioxol-5-yl]methanol
Also Known As: 1,3-Benzodioxole-5,6-dimethanol, 5,6-Di(hydroxymethyl)-1,3-benzodioxole, 1,3-BENZODIOXOLE, 5,6-DI(HYDROXYMETHYL)-, 5,6-Di(hydroxymethyl)-methylenedioxybenzol, 5,6-Di(hydroxymethyl)-methylenedioxybenzol [German]
| Molecular Formula | C9H10O4 |
|---|---|
| Molecular Weight | 182.06 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.0579 |
| Heavy Atoms | 13 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 78186-60-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)CO)CO |
| InChIKey | HYLFQYKSYQWDOA-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxole, 5,6-di(hydroxymethyl)- (CAS 78186-60-4), with molecular formula C9H10O4 and molecular weight 182.06 g/mol. IUPAC: [6-(hydroxymethyl)-1,3-benzodioxol-5-yl]methanol.
Chemical Property Profile of 1,3-Benzodioxole, 5,6-di(hydroxymethyl)-
Property Insights of 1,3-Benzodioxole, 5,6-di(hydroxymethyl)-
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole, 5,6-di(hydroxymethyl)-. With a topological polar surface area (TPSA) of 58.9 Ų, 1,3-Benzodioxole, 5,6-di(hydroxymethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 5,6-di(hydroxymethyl)- has 2 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 1,3-Benzodioxole, 5,6-di(hydroxymethyl)-?
The CAS number of 1,3-Benzodioxole, 5,6-di(hydroxymethyl)- is 78186-60-4.
What is the molecular formula of 1,3-Benzodioxole, 5,6-di(hydroxymethyl)-?
The molecular formula of 1,3-Benzodioxole, 5,6-di(hydroxymethyl)- is C9H10O4.
What is the molecular weight of 1,3-Benzodioxole, 5,6-di(hydroxymethyl)-?
The molecular weight of 1,3-Benzodioxole, 5,6-di(hydroxymethyl)- is 182.06 g/mol.
Where can I buy 1,3-Benzodioxole, 5,6-di(hydroxymethyl)-?
You can request a quote for 1,3-Benzodioxole, 5,6-di(hydroxymethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole, 5,6-di(hydroxymethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole, 5,6-di(hydroxymethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.