![10-acetyl-3-(4-tert-butylphenyl)-11-(2,4-dichlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one structure](/static/products/5239/523992-61-2.webp)
10-acetyl-3-(4-tert-butylphenyl)-11-(2,4-dichlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
TL;DR: 10-acetyl-3-(4-tert-butylphenyl)-11-(2,4-dichlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 523992-61-2) is a chemical compound with molecular formula C31H30Cl2N2O2 and molecular weight 532.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-9-(4-tert-butylphenyl)-6-(2,4-dichlorophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 10-acetyl-3-(4-tert-butylphenyl)-11-(2,4-dichlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 1-[3-(4-tert-butylphenyl)-11-(2,4-dichlorophenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone, 10-acetyl-11-(2,4-dichlorophenyl)-3-[4-(tert-butyl)phenyl]-1-oxo-2,3,4-trihydr o-5H,11H-benzo[b]benzo[2,1-f]1,4-diazepine, 10-acetyl-3-(4-(tert-butyl)phenyl)-11-(2,4-dichlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 10-ACETYL-3-[4-(TERT-BUTYL)PHENYL]-11-(2,4-DICHLOROPHENYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE
| Molecular Formula | C31H30Cl2N2O2 |
|---|---|
| Molecular Weight | 532.17 g/mol |
| LogP | 8.2114 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 532.16846 |
| Heavy Atoms | 37 |
| Complexity | 1419.8657 |
Chemical Identifiers
| CAS Number | 523992-61-2 |
|---|---|
| SMILES | CC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)C(C)(C)C)NC4=CC=CC=C41)C5=C(C=C(C=C5)Cl)Cl |
Product Overview
10-acetyl-3-(4-tert-butylphenyl)-11-(2,4-dichlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 523992-61-2), with molecular formula C31H30Cl2N2O2 and molecular weight 532.17 g/mol. IUPAC: 5-acetyl-9-(4-tert-butylphenyl)-6-(2,4-dichlorophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 10-acetyl-3-(4-tert-butylphenyl)-11-(2,4-dichlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Property Insights of 10-acetyl-3-(4-tert-butylphenyl)-11-(2,4-dichlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
The XLogP value of 8.2114 indicates that 10-acetyl-3-(4-tert-butylphenyl)-11-(2,4-dichlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, 10-acetyl-3-(4-tert-butylphenyl)-11-(2,4-dichlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10-acetyl-3-(4-tert-butylphenyl)-11-(2,4-dichlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one has 1 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 10-acetyl-3-(4-tert-butylphenyl)-11-(2,4-dichlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The CAS number of 10-acetyl-3-(4-tert-butylphenyl)-11-(2,4-dichlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 523992-61-2.
What is the molecular formula of 10-acetyl-3-(4-tert-butylphenyl)-11-(2,4-dichlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular formula of 10-acetyl-3-(4-tert-butylphenyl)-11-(2,4-dichlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is C31H30Cl2N2O2.
What is the molecular weight of 10-acetyl-3-(4-tert-butylphenyl)-11-(2,4-dichlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular weight of 10-acetyl-3-(4-tert-butylphenyl)-11-(2,4-dichlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 532.17 g/mol.
Where can I buy 10-acetyl-3-(4-tert-butylphenyl)-11-(2,4-dichlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
You can request a quote for 10-acetyl-3-(4-tert-butylphenyl)-11-(2,4-dichlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-acetyl-3-(4-tert-butylphenyl)-11-(2,4-dichlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 10-acetyl-3-(4-tert-butylphenyl)-11-(2,4-dichlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.