![2,2,2-trifluoro-1-[1-hydroxy-11-(4-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone structure](/static/products/6751/675142-84-4.webp)
2,2,2-trifluoro-1-[1-hydroxy-11-(4-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone
TL;DR: 2,2,2-trifluoro-1-[1-hydroxy-11-(4-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone (CAS 675142-84-4) is a chemical compound with molecular formula C29H25F3N2O3 and molecular weight 506.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methoxyphenyl)-9-(4-methylphenyl)-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-[1-hydroxy-11-(4-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone, 6-(4-methoxyphenyl)-9-(p-tolyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one, 11-(4-methoxyphenyl)-3-(4-methylphenyl)-10-(2,2,2-trifluoroacetyl)-2,3,4-trihy dro-5H,11H-benzo[b]benzo[2,1-f]1,4-diazepin-1-one, 11-(4-methoxyphenyl)-3-(4-methylphenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 2,2,2-trifluoro-1-(1-hydroxy-11-(4-methoxyphenyl)-3-(p-tolyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)ethanone
| Molecular Formula | C29H25F3N2O3 |
|---|---|
| Molecular Weight | 506.18 g/mol |
| LogP | 6.46652 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 506.18173 |
| Heavy Atoms | 37 |
| Complexity | 1378.7559 |
Chemical Identifiers
| CAS Number | 675142-84-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C(F)(F)F)C5=CC=C(C=C5)OC)C(=O)C2 |
Product Overview
2,2,2-trifluoro-1-[1-hydroxy-11-(4-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone (CAS 675142-84-4), with molecular formula C29H25F3N2O3 and molecular weight 506.18 g/mol. IUPAC: 6-(4-methoxyphenyl)-9-(4-methylphenyl)-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-[1-hydroxy-11-(4-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone
Property Insights of 2,2,2-trifluoro-1-[1-hydroxy-11-(4-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone
The XLogP value of 6.46652 indicates that 2,2,2-trifluoro-1-[1-hydroxy-11-(4-methoxyphenyl)-3-(4-methylphenyl)-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 58.64 Ų, 2,2,2-trifluoro-1-[1-hydroxy-11-(4-methoxyphenyl)-3-(4-methylphenyl)-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-[1-hydroxy-11-(4-methoxyphenyl)-3-(4-methylphenyl)-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-[1-hydroxy-11-(4-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone?
The CAS number of 2,2,2-trifluoro-1-[1-hydroxy-11-(4-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone is 675142-84-4.
What is the molecular formula of 2,2,2-trifluoro-1-[1-hydroxy-11-(4-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone?
The molecular formula of 2,2,2-trifluoro-1-[1-hydroxy-11-(4-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone is C29H25F3N2O3.
What is the molecular weight of 2,2,2-trifluoro-1-[1-hydroxy-11-(4-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone?
The molecular weight of 2,2,2-trifluoro-1-[1-hydroxy-11-(4-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone is 506.18 g/mol.
Where can I buy 2,2,2-trifluoro-1-[1-hydroxy-11-(4-methoxyphenyl)-3-(4-methylphenyl)-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-[1-hydroxy-11-(4-methoxyphenyl)-3-(4-methylphenyl)-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-[1-hydroxy-11-(4-methoxyphenyl)-3-(4-methylphenyl)-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-[1-hydroxy-11-(4-methoxyphenyl)-3-(4-methylphenyl)-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.