![3,9,9-trimethyl-6-[3-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one structure](/static/products/1020/1020252-14-5.webp)
3,9,9-trimethyl-6-[3-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
TL;DR: 3,9,9-trimethyl-6-[3-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one (CAS 1020252-14-5) is a chemical compound with molecular formula C23H23F3N2O2 and molecular weight 416.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,9,9-trimethyl-6-[3-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 3,9,9-trimethyl-6-[3-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one, 6,14,14-trimethyl-10-[3-(trifluoromethoxy)phenyl]-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one, 2,10-Diaza-5,5,13-trimethyl-9-(3-(trifluoromethoxy)phenyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one, 3,3,8-trimethyl-11-[3-(trifluoromethoxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C23H23F3N2O2 |
|---|---|
| Molecular Weight | 416.17 g/mol |
| LogP | 6.11552 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 416.17117 |
| Heavy Atoms | 30 |
| Complexity | 1040.984 |
Chemical Identifiers
| CAS Number | 1020252-14-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC3=C(C(N2)C4=CC(=CC=C4)OC(F)(F)F)C(=O)CC(C3)(C)C |
Product Overview
3,9,9-trimethyl-6-[3-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one (CAS 1020252-14-5), with molecular formula C23H23F3N2O2 and molecular weight 416.17 g/mol. IUPAC: 3,9,9-trimethyl-6-[3-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 3,9,9-trimethyl-6-[3-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Property Insights of 3,9,9-trimethyl-6-[3-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
The XLogP value of 6.11552 indicates that 3,9,9-trimethyl-6-[3-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, 3,9,9-trimethyl-6-[3-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,9,9-trimethyl-6-[3-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one has 2 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 3,9,9-trimethyl-6-[3-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one?
The CAS number of 3,9,9-trimethyl-6-[3-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one is 1020252-14-5.
What is the molecular formula of 3,9,9-trimethyl-6-[3-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one?
The molecular formula of 3,9,9-trimethyl-6-[3-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one is C23H23F3N2O2.
What is the molecular weight of 3,9,9-trimethyl-6-[3-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one?
The molecular weight of 3,9,9-trimethyl-6-[3-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one is 416.17 g/mol.
Where can I buy 3,9,9-trimethyl-6-[3-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one?
You can request a quote for 3,9,9-trimethyl-6-[3-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,9,9-trimethyl-6-[3-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 3,9,9-trimethyl-6-[3-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.