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3-Bromo-9-phenyl-5,7-dihydro-10-oxa-5,8-diaza-benzo[a]azulen-6-one
TL;DR: 3-Bromo-9-phenyl-5,7-dihydro-10-oxa-5,8-diaza-benzo[a]azulen-6-one (CAS 296798-60-2) is a chemical compound with molecular formula C17H11BrN2O2 and molecular weight 354.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-bromo-5-phenyl-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one
Also Known As: ChemDiv1_028629, BAS 01507870, 3-Bromo-9-phenyl-5,7-dihydro-10-oxa-5,8-diaza-benzo[a]azulen-6-one, A0435/0020146, 9-bromo-5-phenyl-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one
| Molecular Formula | C17H11BrN2O2 |
|---|---|
| Molecular Weight | 354.00 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 354.0004 |
| Heavy Atoms | 22 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 296798-60-2 |
|---|---|
| SMILES | C1C(=O)NC2=C(C(=N1)C3=CC=CC=C3)OC4=C2C=C(C=C4)Br |
| InChIKey | DJMHJHDYEXNPEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-9-phenyl-5,7-dihydro-10-oxa-5,8-diaza-benzo[a]azulen-6-one (CAS 296798-60-2), with molecular formula C17H11BrN2O2 and molecular weight 354.00 g/mol. IUPAC: 9-bromo-5-phenyl-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one.
Chemical Property Profile of 3-Bromo-9-phenyl-5,7-dihydro-10-oxa-5,8-diaza-benzo[a]azulen-6-one
Property Insights of 3-Bromo-9-phenyl-5,7-dihydro-10-oxa-5,8-diaza-benzo[a]azulen-6-one
The XLogP value of 3.8 indicates that 3-Bromo-9-phenyl-5,7-dihydro-10-oxa-5,8-diaza-benzo[a]azulen-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.6 Ų, 3-Bromo-9-phenyl-5,7-dihydro-10-oxa-5,8-diaza-benzo[a]azulen-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-9-phenyl-5,7-dihydro-10-oxa-5,8-diaza-benzo[a]azulen-6-one has 1 hydrogen bond donor(s) and 3 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-Bromo-9-phenyl-5,7-dihydro-10-oxa-5,8-diaza-benzo[a]azulen-6-one?
The CAS number of 3-Bromo-9-phenyl-5,7-dihydro-10-oxa-5,8-diaza-benzo[a]azulen-6-one is 296798-60-2.
What is the molecular formula of 3-Bromo-9-phenyl-5,7-dihydro-10-oxa-5,8-diaza-benzo[a]azulen-6-one?
The molecular formula of 3-Bromo-9-phenyl-5,7-dihydro-10-oxa-5,8-diaza-benzo[a]azulen-6-one is C17H11BrN2O2.
What is the molecular weight of 3-Bromo-9-phenyl-5,7-dihydro-10-oxa-5,8-diaza-benzo[a]azulen-6-one?
The molecular weight of 3-Bromo-9-phenyl-5,7-dihydro-10-oxa-5,8-diaza-benzo[a]azulen-6-one is 354.00 g/mol.
Where can I buy 3-Bromo-9-phenyl-5,7-dihydro-10-oxa-5,8-diaza-benzo[a]azulen-6-one?
You can request a quote for 3-Bromo-9-phenyl-5,7-dihydro-10-oxa-5,8-diaza-benzo[a]azulen-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-9-phenyl-5,7-dihydro-10-oxa-5,8-diaza-benzo[a]azulen-6-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-9-phenyl-5,7-dihydro-10-oxa-5,8-diaza-benzo[a]azulen-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.