Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-1-phenyl-, monohydrobromide
TL;DR: Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-1-phenyl-, monohydrobromide (CAS 28740-80-9) is a chemical compound with molecular formula C17H15BrN2 and molecular weight 326.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7,9-pentaene;hydrobromide
Also Known As: 3,4-Dihydro-1-phenylpyrrolo(3,2,1-jk)(1,4)benzodiazepine hydrobromide, 4,5-Dihydro-7-phenylpyrrolo(3,2,1-jk)(1,4)benzodiazepine hydrobromide, Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-1-phenyl-, monohydrobromide, 1-Phenyl-3,4-dihydro[1,4]diazepino[6,7,1-hi]indole--hydrogen bromide (1/1), RefChem:378258
| Molecular Formula | C17H15BrN2 |
|---|---|
| Molecular Weight | 326.04 g/mol |
| LogP | 4.0702 |
| Topological Polar Surface Area | 17.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.04187 |
| Heavy Atoms | 20 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 28740-80-9 |
|---|---|
| SMILES | C1CN2C=CC3=C2C(=CC=C3)C(=N1)C4=CC=CC=C4.Br |
| InChIKey | AKOWXUFLXGXLMX-UHFFFAOYSA-N |
Product Overview
Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-1-phenyl-, monohydrobromide (CAS 28740-80-9), with molecular formula C17H15BrN2 and molecular weight 326.04 g/mol. IUPAC: 9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7,9-pentaene;hydrobromide.
Chemical Property Profile of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-1-phenyl-, monohydrobromide
Property Insights of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-1-phenyl-, monohydrobromide
The XLogP value of 4.0702 indicates that Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-1-phenyl-, monohydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.3 Ų, Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-1-phenyl-, monohydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-1-phenyl-, monohydrobromide has 1 hydrogen bond donor(s) and 1 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 Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-1-phenyl-, monohydrobromide?
The CAS number of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-1-phenyl-, monohydrobromide is 28740-80-9.
What is the molecular formula of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-1-phenyl-, monohydrobromide?
The molecular formula of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-1-phenyl-, monohydrobromide is C17H15BrN2.
What is the molecular weight of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-1-phenyl-, monohydrobromide?
The molecular weight of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-1-phenyl-, monohydrobromide is 326.04 g/mol.
Where can I buy Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-1-phenyl-, monohydrobromide?
You can request a quote for Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-1-phenyl-, monohydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-1-phenyl-, monohydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-1-phenyl-, monohydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.