![11-(2-chlorophenyl)-3-(4-fluorophenyl)-10-hexanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one structure](/static/products/5239/523992-86-1.webp)
11-(2-chlorophenyl)-3-(4-fluorophenyl)-10-hexanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
TL;DR: 11-(2-chlorophenyl)-3-(4-fluorophenyl)-10-hexanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 523992-86-1) is a chemical compound with molecular formula C31H30ClFN2O2 and molecular weight 516.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-chlorophenyl)-9-(4-fluorophenyl)-5-hexanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 11-(2-chlorophenyl)-3-(4-fluorophenyl)-10-hexanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 1-[11-(2-chlorophenyl)-3-(4-fluorophenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one, 10-(2-CHLOROPHENYL)-14-(4-FLUOROPHENYL)-9-HEXANOYL-2,9-DIAZATRICYCLO[9.4.0.0(3),?]PENTADECA-1(11),3,5,7-TETRAEN-12-ONE, 11-(2-chlorophenyl)-3-(4-fluorophenyl)-10-hexanoyl-2,3,4-trihydro-5H,11H-benzo [b]benzo[2,1-f]1,4-diazepin-1-one, 6-(2-chlorophenyl)-9-(4-fluorophenyl)-5-hexanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C31H30ClFN2O2 |
|---|---|
| Molecular Weight | 516.20 g/mol |
| LogP | 7.96 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 516.198 |
| Heavy Atoms | 37 |
| Complexity | 1351.3239 |
Chemical Identifiers
| CAS Number | 523992-86-1 |
|---|---|
| SMILES | CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)F)NC4=CC=CC=C41)C5=CC=CC=C5Cl |
Product Overview
11-(2-chlorophenyl)-3-(4-fluorophenyl)-10-hexanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 523992-86-1), with molecular formula C31H30ClFN2O2 and molecular weight 516.20 g/mol. IUPAC: 6-(2-chlorophenyl)-9-(4-fluorophenyl)-5-hexanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 11-(2-chlorophenyl)-3-(4-fluorophenyl)-10-hexanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Property Insights of 11-(2-chlorophenyl)-3-(4-fluorophenyl)-10-hexanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
The XLogP value of 7.96 indicates that 11-(2-chlorophenyl)-3-(4-fluorophenyl)-10-hexanoyl-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, 11-(2-chlorophenyl)-3-(4-fluorophenyl)-10-hexanoyl-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, 11-(2-chlorophenyl)-3-(4-fluorophenyl)-10-hexanoyl-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 11-(2-chlorophenyl)-3-(4-fluorophenyl)-10-hexanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The CAS number of 11-(2-chlorophenyl)-3-(4-fluorophenyl)-10-hexanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 523992-86-1.
What is the molecular formula of 11-(2-chlorophenyl)-3-(4-fluorophenyl)-10-hexanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular formula of 11-(2-chlorophenyl)-3-(4-fluorophenyl)-10-hexanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is C31H30ClFN2O2.
What is the molecular weight of 11-(2-chlorophenyl)-3-(4-fluorophenyl)-10-hexanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular weight of 11-(2-chlorophenyl)-3-(4-fluorophenyl)-10-hexanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 516.20 g/mol.
Where can I buy 11-(2-chlorophenyl)-3-(4-fluorophenyl)-10-hexanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
You can request a quote for 11-(2-chlorophenyl)-3-(4-fluorophenyl)-10-hexanoyl-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 11-(2-chlorophenyl)-3-(4-fluorophenyl)-10-hexanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 11-(2-chlorophenyl)-3-(4-fluorophenyl)-10-hexanoyl-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.