8-Bromo-4-cyano-2-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine
TL;DR: 8-Bromo-4-cyano-2-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine (CAS 87474-33-7) is a chemical compound with molecular formula C15H13BrN4 and molecular weight 328.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-2-phenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine-4-carbonitrile
Also Known As: 8-Bromo-4-cyano-2-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine, 8-Bromo-2-phenyl-2,3,4,5-tetrahydro-1H-pyrido(2,3-b)(1,4)diazepine-4-carbonitrile, 1H-Pyrido(2,3-b)(1,4)diazepine-4-carbonitrile, 2,3,4,5-tetrahydro-8-bromo-2-phenyl-, 8-bromo-2-phenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine-4-carbonitrile, RefChem:240153
| Molecular Formula | C15H13BrN4 |
|---|---|
| Molecular Weight | 328.03 g/mol |
| LogP | 3.70508 |
| Topological Polar Surface Area | 60.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 328.03235 |
| Heavy Atoms | 20 |
| Complexity | 650.6683 |
Chemical Identifiers
| CAS Number | 87474-33-7 |
|---|---|
| SMILES | C1C(NC2=C(C=C(C=N2)Br)NC1C3=CC=CC=C3)C#N |
Product Overview
8-Bromo-4-cyano-2-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine (CAS 87474-33-7), with molecular formula C15H13BrN4 and molecular weight 328.03 g/mol. IUPAC: 8-bromo-2-phenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine-4-carbonitrile.
Chemical Property Profile of 8-Bromo-4-cyano-2-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine
Property Insights of 8-Bromo-4-cyano-2-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine
The XLogP value of 3.70508 indicates that 8-Bromo-4-cyano-2-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Bromo-4-cyano-2-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine. Following Lipinski's Rule of Five, 8-Bromo-4-cyano-2-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine has 2 hydrogen bond donor(s) and 4 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 8-Bromo-4-cyano-2-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine?
The CAS number of 8-Bromo-4-cyano-2-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine is 87474-33-7.
What is the molecular formula of 8-Bromo-4-cyano-2-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine?
The molecular formula of 8-Bromo-4-cyano-2-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine is C15H13BrN4.
What is the molecular weight of 8-Bromo-4-cyano-2-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine?
The molecular weight of 8-Bromo-4-cyano-2-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine is 328.03 g/mol.
Where can I buy 8-Bromo-4-cyano-2-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine?
You can request a quote for 8-Bromo-4-cyano-2-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Bromo-4-cyano-2-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine?
Yes, KEHONG BIO provides custom synthesis services for 8-Bromo-4-cyano-2-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.