![6-(4-chlorophenyl)-9-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one structure](/static/products/3545/354538-79-7.webp)
6-(4-chlorophenyl)-9-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
TL;DR: 6-(4-chlorophenyl)-9-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one (CAS 354538-79-7) is a chemical compound with molecular formula C27H19ClF3N3O4 and molecular weight 541.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-chlorophenyl)-9-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 6-(4-chlorophenyl)-9-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one, A2615/0111217, 11-(4-chlorophenyl)-3-(3-nitrophenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 11-(4-CHLOROPHENYL)-3-(3-NITROPHENYL)-10-(2,2,2-TRIFLUOROACETYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE, 11-(4-chlorophenyl)-3-{3-nitrophenyl}-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C27H19ClF3N3O4 |
|---|---|
| Molecular Weight | 541.10 g/mol |
| LogP | 6.7111 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 541.1016 |
| Heavy Atoms | 38 |
| Complexity | 1487.3833 |
Chemical Identifiers
| CAS Number | 354538-79-7 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1NC3=CC=CC=C3N(C2C4=CC=C(C=C4)Cl)C(=O)C(F)(F)F)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
6-(4-chlorophenyl)-9-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one (CAS 354538-79-7), with molecular formula C27H19ClF3N3O4 and molecular weight 541.10 g/mol. IUPAC: 6-(4-chlorophenyl)-9-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 6-(4-chlorophenyl)-9-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Property Insights of 6-(4-chlorophenyl)-9-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
The XLogP value of 6.7111 indicates that 6-(4-chlorophenyl)-9-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-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. The TPSA of 92.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-chlorophenyl)-9-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one. Following Lipinski's Rule of Five, 6-(4-chlorophenyl)-9-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-(4-chlorophenyl)-9-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one?
The CAS number of 6-(4-chlorophenyl)-9-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one is 354538-79-7.
What is the molecular formula of 6-(4-chlorophenyl)-9-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one?
The molecular formula of 6-(4-chlorophenyl)-9-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one is C27H19ClF3N3O4.
What is the molecular weight of 6-(4-chlorophenyl)-9-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one?
The molecular weight of 6-(4-chlorophenyl)-9-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one is 541.10 g/mol.
Where can I buy 6-(4-chlorophenyl)-9-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one?
You can request a quote for 6-(4-chlorophenyl)-9-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-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 6-(4-chlorophenyl)-9-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-chlorophenyl)-9-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-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.