![9,9-dimethyl-6-[4-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one structure](/static/products/4441/444151-02-4.webp)
9,9-dimethyl-6-[4-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
TL;DR: 9,9-dimethyl-6-[4-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one (CAS 444151-02-4) is a chemical compound with molecular formula C22H21F3N2O2 and molecular weight 402.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,9-dimethyl-6-[4-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 9,9-dimethyl-6-[4-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one, 14,14-dimethyl-10-[4-(trifluoromethoxy)phenyl]-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one, 3,3-dimethyl-11-[4-(trifluoromethoxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 2,10-Diaza-5,5-dimethyl-9-(4-(trifluoromethoxy)phenyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one, C22H21F3N2O2
| Molecular Formula | C22H21F3N2O2 |
|---|---|
| Molecular Weight | 402.16 g/mol |
| LogP | 5.8071 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 402.15552 |
| Heavy Atoms | 29 |
| Complexity | 978.29706 |
Chemical Identifiers
| CAS Number | 444151-02-4 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC=C(C=C4)OC(F)(F)F)C(=O)C1)C |
Product Overview
9,9-dimethyl-6-[4-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one (CAS 444151-02-4), with molecular formula C22H21F3N2O2 and molecular weight 402.16 g/mol. IUPAC: 9,9-dimethyl-6-[4-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 9,9-dimethyl-6-[4-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Property Insights of 9,9-dimethyl-6-[4-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
The XLogP value of 5.8071 indicates that 9,9-dimethyl-6-[4-(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, 9,9-dimethyl-6-[4-(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, 9,9-dimethyl-6-[4-(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 9,9-dimethyl-6-[4-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one?
The CAS number of 9,9-dimethyl-6-[4-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one is 444151-02-4.
What is the molecular formula of 9,9-dimethyl-6-[4-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one?
The molecular formula of 9,9-dimethyl-6-[4-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one is C22H21F3N2O2.
What is the molecular weight of 9,9-dimethyl-6-[4-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one?
The molecular weight of 9,9-dimethyl-6-[4-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one is 402.16 g/mol.
Where can I buy 9,9-dimethyl-6-[4-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one?
You can request a quote for 9,9-dimethyl-6-[4-(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 9,9-dimethyl-6-[4-(trifluoromethoxy)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 9,9-dimethyl-6-[4-(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.