1,3-Benzodioxol-4-ol
TL;DR: 1,3-Benzodioxol-4-ol (CAS 69393-72-2) is a chemical compound with molecular formula C7H6O3 and molecular weight 138.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-4-ol
Also Known As: 1,3-Benzodioxol-4-ol, BENZO[D][1,3]DIOXOL-4-OL, 2H-1,3-benzodioxol-4-ol, methylendioxyphenol, methylenedioxyphenol
| Molecular Formula | C7H6O3 |
|---|---|
| Molecular Weight | 138.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.0317 |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 69393-72-2 |
|---|---|
| SMILES | C1OC2=CC=CC(=C2O1)O |
| InChIKey | XRSKRSVTUVLURN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzodioxol-4-ol (CAS 69393-72-2), with molecular formula C7H6O3 and molecular weight 138.03 g/mol. IUPAC: 1,3-benzodioxol-4-ol.
Chemical Property Profile of 1,3-Benzodioxol-4-ol
Property Insights of 1,3-Benzodioxol-4-ol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxol-4-ol. With a topological polar surface area (TPSA) of 38.7 Ų, 1,3-Benzodioxol-4-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxol-4-ol has 1 hydrogen bond donor(s) and 3 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-Benzodioxol-4-ol?
The CAS number of 1,3-Benzodioxol-4-ol is 69393-72-2.
What is the molecular formula of 1,3-Benzodioxol-4-ol?
The molecular formula of 1,3-Benzodioxol-4-ol is C7H6O3.
What is the molecular weight of 1,3-Benzodioxol-4-ol?
The molecular weight of 1,3-Benzodioxol-4-ol is 138.03 g/mol.
Where can I buy 1,3-Benzodioxol-4-ol?
You can request a quote for 1,3-Benzodioxol-4-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-Benzodioxol-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxol-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.