![3,3-dimethyl-1-oxo-N-phenyl-11-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide structure](/static/products/3306/330644-42-3.webp)
3,3-dimethyl-1-oxo-N-phenyl-11-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
TL;DR: 3,3-dimethyl-1-oxo-N-phenyl-11-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide (CAS 330644-42-3) is a chemical compound with molecular formula C29H26F3N3OS and molecular weight 521.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,9-dimethyl-7-oxo-N-phenyl-6-[4-(trifluoromethyl)phenyl]-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide
Also Known As: 3,3-dimethyl-1-oxo-N-phenyl-11-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide, 3,3-dimethyl-1-oxo-N-phenyl-11-(4-(trifluoromethyl)phenyl)-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbothioamide, 3,3-dimethyl-10-[(phenylamino)thioxomethyl]-11-[4-(trifluoromethyl)phenyl]-2,3 ,4-trihydro-5H,11H-benzo[b]benzo[2,1-f]1,4-diazepin-1-one, 9,9-dimethyl-7-oxo-N-phenyl-6-[4-(trifluoromethyl)phenyl]-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide
| Molecular Formula | C29H26F3N3OS |
|---|---|
| Molecular Weight | 521.17 g/mol |
| LogP | 7.7188 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 521.17487 |
| Heavy Atoms | 37 |
| Complexity | 1381.5107 |
Chemical Identifiers
| CAS Number | 330644-42-3 |
|---|---|
| SMILES | CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=S)NC4=CC=CC=C4)C5=CC=C(C=C5)C(F)(F)F)C(=O)C1)C |
Product Overview
3,3-dimethyl-1-oxo-N-phenyl-11-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide (CAS 330644-42-3), with molecular formula C29H26F3N3OS and molecular weight 521.17 g/mol. IUPAC: 9,9-dimethyl-7-oxo-N-phenyl-6-[4-(trifluoromethyl)phenyl]-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide.
Chemical Property Profile of 3,3-dimethyl-1-oxo-N-phenyl-11-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
Property Insights of 3,3-dimethyl-1-oxo-N-phenyl-11-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
The XLogP value of 7.7188 indicates that 3,3-dimethyl-1-oxo-N-phenyl-11-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.37 Ų, 3,3-dimethyl-1-oxo-N-phenyl-11-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-dimethyl-1-oxo-N-phenyl-11-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3-dimethyl-1-oxo-N-phenyl-11-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide?
The CAS number of 3,3-dimethyl-1-oxo-N-phenyl-11-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide is 330644-42-3.
What is the molecular formula of 3,3-dimethyl-1-oxo-N-phenyl-11-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide?
The molecular formula of 3,3-dimethyl-1-oxo-N-phenyl-11-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide is C29H26F3N3OS.
What is the molecular weight of 3,3-dimethyl-1-oxo-N-phenyl-11-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide?
The molecular weight of 3,3-dimethyl-1-oxo-N-phenyl-11-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide is 521.17 g/mol.
Where can I buy 3,3-dimethyl-1-oxo-N-phenyl-11-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide?
You can request a quote for 3,3-dimethyl-1-oxo-N-phenyl-11-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-dimethyl-1-oxo-N-phenyl-11-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-1-oxo-N-phenyl-11-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.