![6-(4-fluorophenyl)-9,9-dimethyl-7-oxo-N-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide structure](/static/products/5788/5788-28-3.webp)
6-(4-fluorophenyl)-9,9-dimethyl-7-oxo-N-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide
TL;DR: 6-(4-fluorophenyl)-9,9-dimethyl-7-oxo-N-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide (CAS 5788-28-3) is a chemical compound with molecular formula C28H26FN3OS and molecular weight 471.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-fluorophenyl)-9,9-dimethyl-7-oxo-N-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide
Also Known As: 6-(4-fluorophenyl)-9,9-dimethyl-7-oxo-N-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide, 11-(4-fluorophenyl)-3,3-dimethyl-1-oxo-N-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide, 11-(4-fluorophenyl)-1-hydroxy-3,3-dimethyl-N-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide, 11-(4-fluorophenyl)-3,3-dimethyl-1-oxo-N-phenyl-3,4,5,11-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-10(2H)-carbothioamide, RefChem:382261
| Molecular Formula | C28H26FN3OS |
|---|---|
| Molecular Weight | 471.18 g/mol |
| LogP | 6.8391 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 471.17807 |
| Heavy Atoms | 34 |
| Complexity | 1284.5181 |
Chemical Identifiers
| CAS Number | 5788-28-3 |
|---|---|
| SMILES | CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=S)NC4=CC=CC=C4)C5=CC=C(C=C5)F)C(=O)C1)C |
Product Overview
6-(4-fluorophenyl)-9,9-dimethyl-7-oxo-N-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide (CAS 5788-28-3), with molecular formula C28H26FN3OS and molecular weight 471.18 g/mol. IUPAC: 6-(4-fluorophenyl)-9,9-dimethyl-7-oxo-N-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide.
Chemical Property Profile of 6-(4-fluorophenyl)-9,9-dimethyl-7-oxo-N-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide
Property Insights of 6-(4-fluorophenyl)-9,9-dimethyl-7-oxo-N-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide
The XLogP value of 6.8391 indicates that 6-(4-fluorophenyl)-9,9-dimethyl-7-oxo-N-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-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, 6-(4-fluorophenyl)-9,9-dimethyl-7-oxo-N-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(4-fluorophenyl)-9,9-dimethyl-7-oxo-N-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-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 6-(4-fluorophenyl)-9,9-dimethyl-7-oxo-N-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide?
The CAS number of 6-(4-fluorophenyl)-9,9-dimethyl-7-oxo-N-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide is 5788-28-3.
What is the molecular formula of 6-(4-fluorophenyl)-9,9-dimethyl-7-oxo-N-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide?
The molecular formula of 6-(4-fluorophenyl)-9,9-dimethyl-7-oxo-N-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide is C28H26FN3OS.
What is the molecular weight of 6-(4-fluorophenyl)-9,9-dimethyl-7-oxo-N-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide?
The molecular weight of 6-(4-fluorophenyl)-9,9-dimethyl-7-oxo-N-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide is 471.18 g/mol.
Where can I buy 6-(4-fluorophenyl)-9,9-dimethyl-7-oxo-N-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide?
You can request a quote for 6-(4-fluorophenyl)-9,9-dimethyl-7-oxo-N-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-fluorophenyl)-9,9-dimethyl-7-oxo-N-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-fluorophenyl)-9,9-dimethyl-7-oxo-N-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.