1,4-Benzodioxane-2-methanol
TL;DR: 1,4-Benzodioxane-2-methanol (CAS 3663-82-9) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydro-1,4-benzodioxin-3-ylmethanol
Also Known As: 2-Hydroxymethyl-1,4-benzodioxane, (2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methanol, 1,4-Benzodioxane-2-methanol, 1,4-BENZODIOXAN-2-METHANOL, 2-Hydroxymethyl-1,4-benzodioxan
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 3663-82-9 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2O1)CO |
| InChIKey | GWQOQQVKVOOHTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Benzodioxane-2-methanol (CAS 3663-82-9), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: 2,3-dihydro-1,4-benzodioxin-3-ylmethanol.
Chemical Property Profile of 1,4-Benzodioxane-2-methanol
Property Insights of 1,4-Benzodioxane-2-methanol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzodioxane-2-methanol. With a topological polar surface area (TPSA) of 38.7 Ų, 1,4-Benzodioxane-2-methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzodioxane-2-methanol 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 1,4-Benzodioxane-2-methanol?
The CAS number of 1,4-Benzodioxane-2-methanol is 3663-82-9.
What is the molecular formula of 1,4-Benzodioxane-2-methanol?
The molecular formula of 1,4-Benzodioxane-2-methanol is C9H10O3.
What is the molecular weight of 1,4-Benzodioxane-2-methanol?
The molecular weight of 1,4-Benzodioxane-2-methanol is 166.06 g/mol.
Where can I buy 1,4-Benzodioxane-2-methanol?
You can request a quote for 1,4-Benzodioxane-2-methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzodioxane-2-methanol?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzodioxane-2-methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.