![1-{3-[4-(diethylamino)phenyl]-1-hydroxy-11-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-2,2,2-trifluoroethanone structure](/static/products/372/372975-96-7.png)
1-{3-[4-(diethylamino)phenyl]-1-hydroxy-11-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-2,2,2-trifluoroethanone
TL;DR: 1-{3-[4-(diethylamino)phenyl]-1-hydroxy-11-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-2,2,2-trifluoroethanone (CAS 372975-96-7) is a chemical compound with molecular formula C31H30F3N3O2 and molecular weight 533.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[4-(diethylamino)phenyl]-6-phenyl-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 1-{3-[4-(diethylamino)phenyl]-1-hydroxy-11-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-2,2,2-trifluoroethanone, 3-(4-(diethylamino)phenyl)-11-phenyl-10-(2,2,2-trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 9-[4-(diethylamino)phenyl]-6-phenyl-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C31H30F3N3O2 |
|---|---|
| Molecular Weight | 533.23 g/mol |
| LogP | 6.9957 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 533.229 |
| Heavy Atoms | 39 |
| Complexity | 1396.5814 |
Chemical Identifiers
| CAS Number | 372975-96-7 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C(F)(F)F)C5=CC=CC=C5)C(=O)C2 |
Product Overview
1-{3-[4-(diethylamino)phenyl]-1-hydroxy-11-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-2,2,2-trifluoroethanone (CAS 372975-96-7), with molecular formula C31H30F3N3O2 and molecular weight 533.23 g/mol. IUPAC: 9-[4-(diethylamino)phenyl]-6-phenyl-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-(diethylamino)phenyl]-1-hydroxy-11-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-2,2,2-trifluoroethanone
Property Insights of 1-{3-[4-(diethylamino)phenyl]-1-hydroxy-11-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-2,2,2-trifluoroethanone
The XLogP value of 6.9957 indicates that 1-{3-[4-(diethylamino)phenyl]-1-hydroxy-11-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. With a topological polar surface area (TPSA) of 52.65 Ų, 1-{3-[4-(diethylamino)phenyl]-1-hydroxy-11-phenyl-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-(diethylamino)phenyl]-1-hydroxy-11-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 4 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-(diethylamino)phenyl]-1-hydroxy-11-phenyl-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-(diethylamino)phenyl]-1-hydroxy-11-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-2,2,2-trifluoroethanone is 372975-96-7.
What is the molecular formula of 1-{3-[4-(diethylamino)phenyl]-1-hydroxy-11-phenyl-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-(diethylamino)phenyl]-1-hydroxy-11-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-2,2,2-trifluoroethanone is C31H30F3N3O2.
What is the molecular weight of 1-{3-[4-(diethylamino)phenyl]-1-hydroxy-11-phenyl-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-(diethylamino)phenyl]-1-hydroxy-11-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-2,2,2-trifluoroethanone is 533.23 g/mol.
Where can I buy 1-{3-[4-(diethylamino)phenyl]-1-hydroxy-11-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-{3-[4-(diethylamino)phenyl]-1-hydroxy-11-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-{3-[4-(diethylamino)phenyl]-1-hydroxy-11-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-{3-[4-(diethylamino)phenyl]-1-hydroxy-11-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.