2-(3-溴苯基)-1,3-二噁烷
TL;DR: 2-(3-溴苯基)-1,3-二噁烷 (CAS 17789-14-9) is a chemical compound with molecular formula C9H9BrO2 and molecular weight 227.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-溴苯基)-1,3-二噁烷
2-(3-bromophenyl)-1,3-dioxolane
Also Known As: 2-(3-Bromophenyl)-1,3-dioxolane, Methallylacetate, 3-Bromobenzaldehyde ethylene acetal, 1,3-Dioxolane, 2-(3-bromophenyl)-, 2-(m-Bromophenyl)-1,3-dioxolane
| Molecular Formula | C9H9BrO2 |
|---|---|
| Molecular Weight | 227.98 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.97859 |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 17789-14-9 |
|---|---|
| SMILES | C1COC(O1)C2=CC(=CC=C2)Br |
| InChIKey | VYPYKCPWNPPBBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-溴苯基)-1,3-二噁烷 (CAS 17789-14-9), with molecular formula C9H9BrO2 and molecular weight 227.98 g/mol. IUPAC: 2-(3-bromophenyl)-1,3-dioxolane.
Chemical Property Profile of 2-(3-溴苯基)-1,3-二噁烷
Property Insights of 2-(3-溴苯基)-1,3-二噁烷
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-溴苯基)-1,3-二噁烷. With a topological polar surface area (TPSA) of 18.5 Ų, 2-(3-溴苯基)-1,3-二噁烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-溴苯基)-1,3-二噁烷 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 2-(3-溴苯基)-1,3-二噁烷?
The CAS number of 2-(3-溴苯基)-1,3-二噁烷 is 17789-14-9.
What is the molecular formula of 2-(3-溴苯基)-1,3-二噁烷?
The molecular formula of 2-(3-溴苯基)-1,3-二噁烷 is C9H9BrO2.
What is the molecular weight of 2-(3-溴苯基)-1,3-二噁烷?
The molecular weight of 2-(3-溴苯基)-1,3-二噁烷 is 227.98 g/mol.
Where can I buy 2-(3-溴苯基)-1,3-二噁烷?
You can request a quote for 2-(3-溴苯基)-1,3-二噁烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-溴苯基)-1,3-二噁烷?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-溴苯基)-1,3-二噁烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.