![1-[11-(3,4-dimethoxyphenyl)-1-hydroxy-3-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone structure](/static/products/6751/675141-51-2.webp)
1-[11-(3,4-dimethoxyphenyl)-1-hydroxy-3-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone
TL;DR: 1-[11-(3,4-dimethoxyphenyl)-1-hydroxy-3-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone (CAS 675141-51-2) is a chemical compound with molecular formula C29H25F3N2O4 and molecular weight 522.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,4-dimethoxyphenyl)-9-phenyl-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 1-[11-(3,4-dimethoxyphenyl)-1-hydroxy-3-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone, 1-(11-(3,4-dimethoxyphenyl)-1-hydroxy-3-phenyl-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)-2,2,2-trifluoroethanone, 10-(3,4-dimethoxyphenyl)-14-phenyl-9-(2,2,2-trifluoroacetyl)-2,9-diazatricyclo[9.4.0.0(3),?]pentadeca-1(11),3(8),4,6-tetraen-12-one, 11-(3,4-dimethoxyphenyl)-3-phenyl-10-(2,2,2-trifluoroacetyl)-2,3,4-trihydro-5H ,11H-benzo[b]benzo[2,1-f]1,4-diazepin-1-one, 6-(3,4-dimethoxyphenyl)-9-phenyl-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C29H25F3N2O4 |
|---|---|
| Molecular Weight | 522.18 g/mol |
| LogP | 6.1667 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 522.17664 |
| Heavy Atoms | 38 |
| Complexity | 1418.8207 |
Chemical Identifiers
| CAS Number | 675141-51-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC5=CC=CC=C5N2C(=O)C(F)(F)F)OC |
Product Overview
1-[11-(3,4-dimethoxyphenyl)-1-hydroxy-3-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone (CAS 675141-51-2), with molecular formula C29H25F3N2O4 and molecular weight 522.18 g/mol. IUPAC: 6-(3,4-dimethoxyphenyl)-9-phenyl-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 1-[11-(3,4-dimethoxyphenyl)-1-hydroxy-3-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone
Property Insights of 1-[11-(3,4-dimethoxyphenyl)-1-hydroxy-3-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone
The XLogP value of 6.1667 indicates that 1-[11-(3,4-dimethoxyphenyl)-1-hydroxy-3-phenyl-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. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[11-(3,4-dimethoxyphenyl)-1-hydroxy-3-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone. Following Lipinski's Rule of Five, 1-[11-(3,4-dimethoxyphenyl)-1-hydroxy-3-phenyl-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 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[11-(3,4-dimethoxyphenyl)-1-hydroxy-3-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone?
The CAS number of 1-[11-(3,4-dimethoxyphenyl)-1-hydroxy-3-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone is 675141-51-2.
What is the molecular formula of 1-[11-(3,4-dimethoxyphenyl)-1-hydroxy-3-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone?
The molecular formula of 1-[11-(3,4-dimethoxyphenyl)-1-hydroxy-3-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone is C29H25F3N2O4.
What is the molecular weight of 1-[11-(3,4-dimethoxyphenyl)-1-hydroxy-3-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone?
The molecular weight of 1-[11-(3,4-dimethoxyphenyl)-1-hydroxy-3-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone is 522.18 g/mol.
Where can I buy 1-[11-(3,4-dimethoxyphenyl)-1-hydroxy-3-phenyl-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-[11-(3,4-dimethoxyphenyl)-1-hydroxy-3-phenyl-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-[11-(3,4-dimethoxyphenyl)-1-hydroxy-3-phenyl-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-[11-(3,4-dimethoxyphenyl)-1-hydroxy-3-phenyl-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.