BIM-0039428.P001
TL;DR: BIM-0039428.P001 (CAS 312696-90-5) is a chemical compound with molecular formula C25H21BrN2O and molecular weight 444.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-bromophenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BIM-0039428.P001, 11-(4-bromophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-(4-bromophenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 11-(4-bromophenyl)-3-phenyl-2,3,4-trihydro-5H,10H,11H-benzo[b]benzo[2,1-f]1,4- diazepin-1-one
| Molecular Formula | C25H21BrN2O |
|---|---|
| Molecular Weight | 444.08 g/mol |
| LogP | 6.4286 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 444.08374 |
| Heavy Atoms | 29 |
| Complexity | 1089.3209 |
Chemical Identifiers
| CAS Number | 312696-90-5 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CC=C(C=C4)Br)C5=CC=CC=C5 |
Product Overview
BIM-0039428.P001 (CAS 312696-90-5), with molecular formula C25H21BrN2O and molecular weight 444.08 g/mol. IUPAC: 6-(4-bromophenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BIM-0039428.P001
Property Insights of BIM-0039428.P001
The XLogP value of 6.4286 indicates that BIM-0039428.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, BIM-0039428.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0039428.P001 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0039428.P001?
The CAS number of BIM-0039428.P001 is 312696-90-5.
What is the molecular formula of BIM-0039428.P001?
The molecular formula of BIM-0039428.P001 is C25H21BrN2O.
What is the molecular weight of BIM-0039428.P001?
The molecular weight of BIM-0039428.P001 is 444.08 g/mol.
Where can I buy BIM-0039428.P001?
You can request a quote for BIM-0039428.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0039428.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0039428.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.