ChemDiv1_007399
TL;DR: ChemDiv1_007399 (CAS 362504-29-8) is a chemical compound with molecular formula C26H21BrN2O2 and molecular weight 472.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyl-6-(4-bromophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_007399, BIM-0039226.P001, 2-benzoyl-6-(4-bromophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 11-(4-bromophenyl)-7-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 5-BENZOYL-10-(4-BROMOPHENYL)-2,9-DIAZATRICYCLO[9.4.0.0(3),?]PENTADECA-1(11),3,5,7-TETRAEN-12-ONE
| Molecular Formula | C26H21BrN2O2 |
|---|---|
| Molecular Weight | 472.08 g/mol |
| LogP | 6.2659 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 472.07864 |
| Heavy Atoms | 31 |
| Complexity | 1199.8364 |
Chemical Identifiers
| CAS Number | 362504-29-8 |
|---|---|
| SMILES | C1CC2=C(C(NC3=C(N2)C=C(C=C3)C(=O)C4=CC=CC=C4)C5=CC=C(C=C5)Br)C(=O)C1 |
Product Overview
ChemDiv1_007399 (CAS 362504-29-8), with molecular formula C26H21BrN2O2 and molecular weight 472.08 g/mol. IUPAC: 2-benzoyl-6-(4-bromophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_007399
Property Insights of ChemDiv1_007399
The XLogP value of 6.2659 indicates that ChemDiv1_007399 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, ChemDiv1_007399 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_007399 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_007399?
The CAS number of ChemDiv1_007399 is 362504-29-8.
What is the molecular formula of ChemDiv1_007399?
The molecular formula of ChemDiv1_007399 is C26H21BrN2O2.
What is the molecular weight of ChemDiv1_007399?
The molecular weight of ChemDiv1_007399 is 472.08 g/mol.
Where can I buy ChemDiv1_007399?
You can request a quote for ChemDiv1_007399 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007399?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007399 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.