![2,2,2-trifluoro-1-[3-(4-fluorophenyl)-1-hydroxy-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone structure](/static/products/6751/675151-38-9.webp)
2,2,2-trifluoro-1-[3-(4-fluorophenyl)-1-hydroxy-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone
TL;DR: 2,2,2-trifluoro-1-[3-(4-fluorophenyl)-1-hydroxy-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone (CAS 675151-38-9) is a chemical compound with molecular formula C25H18F4N2O2S and molecular weight 486.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-fluorophenyl)-6-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 2,2,2-trifluoro-1-[3-(4-fluorophenyl)-1-hydroxy-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone, 2,2,2-trifluoro-1-(3-(4-fluorophenyl)-1-hydroxy-11-(thiophen-2-yl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)ethanone, 3-(4-FLUOROPHENYL)-11-(2-THIENYL)-10-(2,2,2-TRIFLUOROACETYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE, 3-(4-fluorophenyl)-11-(2-thienyl)-10-(2,2,2-trifluoroacetyl)-2,3,4-trihydro-5H ,11H-benzo[b]benzo[2,1-f]1,4-diazepin-1-one, 9-(4-fluorophenyl)-6-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C25H18F4N2O2S |
|---|---|
| Molecular Weight | 486.10 g/mol |
| LogP | 6.3501 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 486.1025 |
| Heavy Atoms | 34 |
| Complexity | 1282.9994 |
Chemical Identifiers
| CAS Number | 675151-38-9 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1NC3=CC=CC=C3N(C2C4=CC=CS4)C(=O)C(F)(F)F)C5=CC=C(C=C5)F |
Product Overview
2,2,2-trifluoro-1-[3-(4-fluorophenyl)-1-hydroxy-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone (CAS 675151-38-9), with molecular formula C25H18F4N2O2S and molecular weight 486.10 g/mol. IUPAC: 9-(4-fluorophenyl)-6-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 2,2,2-trifluoro-1-[3-(4-fluorophenyl)-1-hydroxy-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone
Property Insights of 2,2,2-trifluoro-1-[3-(4-fluorophenyl)-1-hydroxy-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone
The XLogP value of 6.3501 indicates that 2,2,2-trifluoro-1-[3-(4-fluorophenyl)-1-hydroxy-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, 2,2,2-trifluoro-1-[3-(4-fluorophenyl)-1-hydroxy-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-trifluoro-1-[3-(4-fluorophenyl)-1-hydroxy-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2,2-trifluoro-1-[3-(4-fluorophenyl)-1-hydroxy-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone?
The CAS number of 2,2,2-trifluoro-1-[3-(4-fluorophenyl)-1-hydroxy-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone is 675151-38-9.
What is the molecular formula of 2,2,2-trifluoro-1-[3-(4-fluorophenyl)-1-hydroxy-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone?
The molecular formula of 2,2,2-trifluoro-1-[3-(4-fluorophenyl)-1-hydroxy-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone is C25H18F4N2O2S.
What is the molecular weight of 2,2,2-trifluoro-1-[3-(4-fluorophenyl)-1-hydroxy-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone?
The molecular weight of 2,2,2-trifluoro-1-[3-(4-fluorophenyl)-1-hydroxy-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone is 486.10 g/mol.
Where can I buy 2,2,2-trifluoro-1-[3-(4-fluorophenyl)-1-hydroxy-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone?
You can request a quote for 2,2,2-trifluoro-1-[3-(4-fluorophenyl)-1-hydroxy-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-trifluoro-1-[3-(4-fluorophenyl)-1-hydroxy-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-trifluoro-1-[3-(4-fluorophenyl)-1-hydroxy-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.