2-(4-Bromophenyl)-3,1-benzoxazepine
TL;DR: 2-(4-Bromophenyl)-3,1-benzoxazepine (CAS 19062-91-0) is a chemical compound with molecular formula C15H10BrNO and molecular weight 298.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-3,1-benzoxazepine
Also Known As: 2-(4-Bromophenyl)-3,1-benzoxazepine, 2-(p-Bromophenyl)-3,1-benzoxazepine, 3,1-Benzoxazepine, 2-(p-bromophenyl)-, 2-(4-Bromophenyl)-3,1-benzoxazepine #, 2-(4-bromophenyl)benzo[d][1,3]oxazepine
| Molecular Formula | C15H10BrNO |
|---|---|
| Molecular Weight | 298.99 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 21.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.99457 |
| Heavy Atoms | 18 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 19062-91-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=COC(=N2)C3=CC=C(C=C3)Br |
| InChIKey | XDQYDLMZRODXFR-UHFFFAOYSA-N |
Product Overview
2-(4-Bromophenyl)-3,1-benzoxazepine (CAS 19062-91-0), with molecular formula C15H10BrNO and molecular weight 298.99 g/mol. IUPAC: 2-(4-bromophenyl)-3,1-benzoxazepine.
Chemical Property Profile of 2-(4-Bromophenyl)-3,1-benzoxazepine
Property Insights of 2-(4-Bromophenyl)-3,1-benzoxazepine
The XLogP value of 4.2 indicates that 2-(4-Bromophenyl)-3,1-benzoxazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.6 Ų, 2-(4-Bromophenyl)-3,1-benzoxazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-3,1-benzoxazepine 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-(4-Bromophenyl)-3,1-benzoxazepine?
The CAS number of 2-(4-Bromophenyl)-3,1-benzoxazepine is 19062-91-0.
What is the molecular formula of 2-(4-Bromophenyl)-3,1-benzoxazepine?
The molecular formula of 2-(4-Bromophenyl)-3,1-benzoxazepine is C15H10BrNO.
What is the molecular weight of 2-(4-Bromophenyl)-3,1-benzoxazepine?
The molecular weight of 2-(4-Bromophenyl)-3,1-benzoxazepine is 298.99 g/mol.
Where can I buy 2-(4-Bromophenyl)-3,1-benzoxazepine?
You can request a quote for 2-(4-Bromophenyl)-3,1-benzoxazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromophenyl)-3,1-benzoxazepine?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-3,1-benzoxazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.