3'-Bromoisosafrole
TL;DR: 3'-Bromoisosafrole (CAS 67911-75-5) is a chemical compound with molecular formula C10H9BrO2 and molecular weight 239.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(E)-3-bromoprop-1-enyl]-1,3-benzodioxole
Also Known As: 3'-Bromoisosafrole, 1,3-BENZODIOXOLE, 5-(3-BROMO-1-PROPENYL)-, 5-(3-bromo-1-propenyl)-1,3-dioxaindan, 5-(3-Bromo-1-propenyl)-1,3-benzodioxole, 5-[(E)-3-bromoprop-1-enyl]-1,3-benzodioxole
| Molecular Formula | C10H9BrO2 |
|---|---|
| Molecular Weight | 239.98 g/mol |
| LogP | 2.8234 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.97859 |
| Heavy Atoms | 13 |
| Complexity | 333.6967 |
Chemical Identifiers
| CAS Number | 67911-75-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/CBr |
Product Overview
3'-Bromoisosafrole (CAS 67911-75-5), with molecular formula C10H9BrO2 and molecular weight 239.98 g/mol. IUPAC: 5-[(E)-3-bromoprop-1-enyl]-1,3-benzodioxole.
Chemical Property Profile of 3'-Bromoisosafrole
Property Insights of 3'-Bromoisosafrole
The XLogP value of 2.8234 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Bromoisosafrole. With a topological polar surface area (TPSA) of 18.46 Ų, 3'-Bromoisosafrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-Bromoisosafrole 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 3'-Bromoisosafrole?
The CAS number of 3'-Bromoisosafrole is 67911-75-5.
What is the molecular formula of 3'-Bromoisosafrole?
The molecular formula of 3'-Bromoisosafrole is C10H9BrO2.
What is the molecular weight of 3'-Bromoisosafrole?
The molecular weight of 3'-Bromoisosafrole is 239.98 g/mol.
Where can I buy 3'-Bromoisosafrole?
You can request a quote for 3'-Bromoisosafrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Bromoisosafrole?
Yes, KEHONG BIO provides custom synthesis services for 3'-Bromoisosafrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.