![3-(Bromomethyl)-1,5-dihydrobenzo[e][1,3]dioxepine structure](/static/products/942/94267-82-0.png)
3-(Bromomethyl)-1,5-dihydrobenzo[e][1,3]dioxepine
TL;DR: 3-(Bromomethyl)-1,5-dihydrobenzo[e][1,3]dioxepine (CAS 94267-82-0) is a chemical compound with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(bromomethyl)-1,5-dihydro-2,4-benzodioxepine
Also Known As: starbld0045003, 3-(bromomethyl)-1,5-dihydro-2,4-benzodioxepine, 3-(bromomethyl)-1,5-dihydrobenzo[e][1,3]dioxepine, BAS 01077459, 3-(BROMOMETHYL)-3,5-DIHYDRO-1H-2,4-BENZODIOXEPINE
| Molecular Formula | C10H11BrO2 |
|---|---|
| Molecular Weight | 241.99 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.99425 |
| Heavy Atoms | 13 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 94267-82-0 |
|---|---|
| SMILES | C1C2=CC=CC=C2COC(O1)CBr |
| InChIKey | OWLOTYGUMKJPKR-UHFFFAOYSA-N |
Product Overview
3-(Bromomethyl)-1,5-dihydrobenzo[e][1,3]dioxepine (CAS 94267-82-0), with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol. IUPAC: 3-(bromomethyl)-1,5-dihydro-2,4-benzodioxepine.
Chemical Property Profile of 3-(Bromomethyl)-1,5-dihydrobenzo[e][1,3]dioxepine
Property Insights of 3-(Bromomethyl)-1,5-dihydrobenzo[e][1,3]dioxepine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Bromomethyl)-1,5-dihydrobenzo[e][1,3]dioxepine. With a topological polar surface area (TPSA) of 18.5 Ų, 3-(Bromomethyl)-1,5-dihydrobenzo[e][1,3]dioxepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Bromomethyl)-1,5-dihydrobenzo[e][1,3]dioxepine 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-(Bromomethyl)-1,5-dihydrobenzo[e][1,3]dioxepine?
The CAS number of 3-(Bromomethyl)-1,5-dihydrobenzo[e][1,3]dioxepine is 94267-82-0.
What is the molecular formula of 3-(Bromomethyl)-1,5-dihydrobenzo[e][1,3]dioxepine?
The molecular formula of 3-(Bromomethyl)-1,5-dihydrobenzo[e][1,3]dioxepine is C10H11BrO2.
What is the molecular weight of 3-(Bromomethyl)-1,5-dihydrobenzo[e][1,3]dioxepine?
The molecular weight of 3-(Bromomethyl)-1,5-dihydrobenzo[e][1,3]dioxepine is 241.99 g/mol.
Where can I buy 3-(Bromomethyl)-1,5-dihydrobenzo[e][1,3]dioxepine?
You can request a quote for 3-(Bromomethyl)-1,5-dihydrobenzo[e][1,3]dioxepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Bromomethyl)-1,5-dihydrobenzo[e][1,3]dioxepine?
Yes, KEHONG BIO provides custom synthesis services for 3-(Bromomethyl)-1,5-dihydrobenzo[e][1,3]dioxepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.