1-Bromo-3,4-(methylenedioxy)benzene
TL;DR: 1-Bromo-3,4-(methylenedioxy)benzene (CAS 2635-13-4) is a chemical compound with molecular formula C7H5BrO2 and molecular weight 199.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1,3-benzodioxole
Also Known As: 5-Bromo-1,3-benzodioxole, 4-Bromo-1,2-(methylenedioxy)benzene, 5-Bromobenzo[d][1,3]dioxole, 4-Bromo-1,2-Methylenedioxybenzene, 1-Bromo-3,4-(methylenedioxy)benzene
| Molecular Formula | C7H5BrO2 |
|---|---|
| Molecular Weight | 199.95 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.9473 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 2635-13-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)Br |
| InChIKey | FBOYMIDCHINJKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-3,4-(methylenedioxy)benzene (CAS 2635-13-4), with molecular formula C7H5BrO2 and molecular weight 199.95 g/mol. IUPAC: 5-bromo-1,3-benzodioxole.
Chemical Property Profile of 1-Bromo-3,4-(methylenedioxy)benzene
Property Insights of 1-Bromo-3,4-(methylenedioxy)benzene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromo-3,4-(methylenedioxy)benzene. With a topological polar surface area (TPSA) of 18.5 Ų, 1-Bromo-3,4-(methylenedioxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-3,4-(methylenedioxy)benzene has 0 hydrogen bond donor(s) and 2 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-Bromo-3,4-(methylenedioxy)benzene?
The CAS number of 1-Bromo-3,4-(methylenedioxy)benzene is 2635-13-4.
What is the molecular formula of 1-Bromo-3,4-(methylenedioxy)benzene?
The molecular formula of 1-Bromo-3,4-(methylenedioxy)benzene is C7H5BrO2.
What is the molecular weight of 1-Bromo-3,4-(methylenedioxy)benzene?
The molecular weight of 1-Bromo-3,4-(methylenedioxy)benzene is 199.95 g/mol.
Where can I buy 1-Bromo-3,4-(methylenedioxy)benzene?
You can request a quote for 1-Bromo-3,4-(methylenedioxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-3,4-(methylenedioxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-3,4-(methylenedioxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.