![10-acetyl-11-(2-chlorophenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one structure](/static/products/5239/523992-83-8.webp)
10-acetyl-11-(2-chlorophenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
TL;DR: 10-acetyl-11-(2-chlorophenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 523992-83-8) is a chemical compound with molecular formula C27H22ClFN2O2 and molecular weight 460.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-6-(2-chlorophenyl)-9-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 10-acetyl-11-(2-chlorophenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, A3116/0132014, 1-[11-(2-chlorophenyl)-3-(4-fluorophenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone, 5-acetyl-6-(2-chlorophenyl)-9-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one, 9-ACETYL-10-(2-CHLOROPHENYL)-14-(4-FLUOROPHENYL)-2,9-DIAZATRICYCLO[9.4.0.0(3),?]PENTADECA-1(11),3,5,7-TETRAEN-12-ONE
| Molecular Formula | C27H22ClFN2O2 |
|---|---|
| Molecular Weight | 460.14 g/mol |
| LogP | 6.3996 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 460.13538 |
| Heavy Atoms | 33 |
| Complexity | 1285.2887 |
Chemical Identifiers
| CAS Number | 523992-83-8 |
|---|---|
| SMILES | CC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)F)NC4=CC=CC=C41)C5=CC=CC=C5Cl |
Product Overview
10-acetyl-11-(2-chlorophenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 523992-83-8), with molecular formula C27H22ClFN2O2 and molecular weight 460.14 g/mol. IUPAC: 5-acetyl-6-(2-chlorophenyl)-9-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 10-acetyl-11-(2-chlorophenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Property Insights of 10-acetyl-11-(2-chlorophenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
The XLogP value of 6.3996 indicates that 10-acetyl-11-(2-chlorophenyl)-3-(4-fluorophenyl)-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-11-(2-chlorophenyl)-3-(4-fluorophenyl)-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-11-(2-chlorophenyl)-3-(4-fluorophenyl)-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-11-(2-chlorophenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The CAS number of 10-acetyl-11-(2-chlorophenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 523992-83-8.
What is the molecular formula of 10-acetyl-11-(2-chlorophenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular formula of 10-acetyl-11-(2-chlorophenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is C27H22ClFN2O2.
What is the molecular weight of 10-acetyl-11-(2-chlorophenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular weight of 10-acetyl-11-(2-chlorophenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 460.14 g/mol.
Where can I buy 10-acetyl-11-(2-chlorophenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
You can request a quote for 10-acetyl-11-(2-chlorophenyl)-3-(4-fluorophenyl)-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-11-(2-chlorophenyl)-3-(4-fluorophenyl)-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-11-(2-chlorophenyl)-3-(4-fluorophenyl)-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.