![1-[3-(4-chlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone structure](/static/products/6751/675141-69-2.webp)
1-[3-(4-chlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone
TL;DR: 1-[3-(4-chlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone (CAS 675141-69-2) is a chemical compound with molecular formula C28H22ClF3N2O2 and molecular weight 510.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-chlorophenyl)-6-(4-methylphenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 1-[3-(4-chlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone, 9-(4-chlorophenyl)-6-(p-tolyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one, 1-(3-(4-chlorophenyl)-1-hydroxy-11-(p-tolyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)-2,2,2-trifluoroethanone, 3-(4-chlorophenyl)-11-(4-methylphenyl)-10-(2,2,2-trifluoroacetyl)-2,3,4-trihyd ro-5H,11H-benzo[b]benzo[2,1-f]1,4-diazepin-1-one, 9-(4-chlorophenyl)-6-(4-methylphenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C28H22ClF3N2O2 |
|---|---|
| Molecular Weight | 510.13 g/mol |
| LogP | 7.11132 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 510.1322 |
| Heavy Atoms | 36 |
| Complexity | 1364.7922 |
Chemical Identifiers
| CAS Number | 675141-69-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC5=CC=CC=C5N2C(=O)C(F)(F)F |
Product Overview
1-[3-(4-chlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone (CAS 675141-69-2), with molecular formula C28H22ClF3N2O2 and molecular weight 510.13 g/mol. IUPAC: 9-(4-chlorophenyl)-6-(4-methylphenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 1-[3-(4-chlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone
Property Insights of 1-[3-(4-chlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone
The XLogP value of 7.11132 indicates that 1-[3-(4-chlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, 1-[3-(4-chlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-(4-chlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone 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 1-[3-(4-chlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone?
The CAS number of 1-[3-(4-chlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone is 675141-69-2.
What is the molecular formula of 1-[3-(4-chlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone?
The molecular formula of 1-[3-(4-chlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone is C28H22ClF3N2O2.
What is the molecular weight of 1-[3-(4-chlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone?
The molecular weight of 1-[3-(4-chlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone is 510.13 g/mol.
Where can I buy 1-[3-(4-chlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone?
You can request a quote for 1-[3-(4-chlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(4-chlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(4-chlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.