![5-benzoyl-6-(4-butoxyphenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one structure](/static/products/4384/438476-56-3.webp)
5-benzoyl-6-(4-butoxyphenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
TL;DR: 5-benzoyl-6-(4-butoxyphenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one (CAS 438476-56-3) is a chemical compound with molecular formula C36H34N2O3 and molecular weight 542.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzoyl-6-(4-butoxyphenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 5-benzoyl-6-(4-butoxyphenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one, 10-benzoyl-11-(4-butoxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 11-(4-butoxyphenyl)-3-phenyl-10-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C36H34N2O3 |
|---|---|
| Molecular Weight | 542.26 g/mol |
| LogP | 8.0799 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 542.25696 |
| Heavy Atoms | 41 |
| Complexity | 1561.7212 |
Chemical Identifiers
| CAS Number | 438476-56-3 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC5=CC=CC=C5N2C(=O)C6=CC=CC=C6 |
Product Overview
5-benzoyl-6-(4-butoxyphenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one (CAS 438476-56-3), with molecular formula C36H34N2O3 and molecular weight 542.26 g/mol. IUPAC: 5-benzoyl-6-(4-butoxyphenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 5-benzoyl-6-(4-butoxyphenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Property Insights of 5-benzoyl-6-(4-butoxyphenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
The XLogP value of 8.0799 indicates that 5-benzoyl-6-(4-butoxyphenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, 5-benzoyl-6-(4-butoxyphenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-benzoyl-6-(4-butoxyphenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one has 1 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 5-benzoyl-6-(4-butoxyphenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one?
The CAS number of 5-benzoyl-6-(4-butoxyphenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one is 438476-56-3.
What is the molecular formula of 5-benzoyl-6-(4-butoxyphenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one?
The molecular formula of 5-benzoyl-6-(4-butoxyphenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one is C36H34N2O3.
What is the molecular weight of 5-benzoyl-6-(4-butoxyphenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one?
The molecular weight of 5-benzoyl-6-(4-butoxyphenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one is 542.26 g/mol.
Where can I buy 5-benzoyl-6-(4-butoxyphenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one?
You can request a quote for 5-benzoyl-6-(4-butoxyphenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-benzoyl-6-(4-butoxyphenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 5-benzoyl-6-(4-butoxyphenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.