(6-Bromo-1,3-dioxaindan-5-yl)methanol
TL;DR: (6-Bromo-1,3-dioxaindan-5-yl)methanol (CAS 76932-64-4) is a chemical compound with molecular formula C8H7BrO3 and molecular weight 229.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-bromo-1,3-benzodioxol-5-yl)methanol
Also Known As: (6-Bromo-1,3-benzodioxol-5-yl)methanol, (6-Bromobenzo[d][1,3]dioxol-5-yl)methanol, Penirolol, bromobenzodioxolylmethanol, Bionet2_000419
| Molecular Formula | C8H7BrO3 |
|---|---|
| Molecular Weight | 229.96 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.95786 |
| Heavy Atoms | 12 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 76932-64-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)CO)Br |
| InChIKey | XYYBAJXSNPIXTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(6-Bromo-1,3-dioxaindan-5-yl)methanol (CAS 76932-64-4), with molecular formula C8H7BrO3 and molecular weight 229.96 g/mol. IUPAC: (6-bromo-1,3-benzodioxol-5-yl)methanol.
Chemical Property Profile of (6-Bromo-1,3-dioxaindan-5-yl)methanol
Property Insights of (6-Bromo-1,3-dioxaindan-5-yl)methanol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-Bromo-1,3-dioxaindan-5-yl)methanol. With a topological polar surface area (TPSA) of 38.7 Ų, (6-Bromo-1,3-dioxaindan-5-yl)methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6-Bromo-1,3-dioxaindan-5-yl)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 (6-Bromo-1,3-dioxaindan-5-yl)methanol?
The CAS number of (6-Bromo-1,3-dioxaindan-5-yl)methanol is 76932-64-4.
What is the molecular formula of (6-Bromo-1,3-dioxaindan-5-yl)methanol?
The molecular formula of (6-Bromo-1,3-dioxaindan-5-yl)methanol is C8H7BrO3.
What is the molecular weight of (6-Bromo-1,3-dioxaindan-5-yl)methanol?
The molecular weight of (6-Bromo-1,3-dioxaindan-5-yl)methanol is 229.96 g/mol.
Where can I buy (6-Bromo-1,3-dioxaindan-5-yl)methanol?
You can request a quote for (6-Bromo-1,3-dioxaindan-5-yl)methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Bromo-1,3-dioxaindan-5-yl)methanol?
Yes, KEHONG BIO provides custom synthesis services for (6-Bromo-1,3-dioxaindan-5-yl)methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.