7,8-dimethyl-2-(thiophen-2-yl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine
TL;DR: 7,8-dimethyl-2-(thiophen-2-yl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine (CAS 440115-92-4) is a chemical compound with molecular formula C16H13F3N2S and molecular weight 322.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dimethyl-2-thiophen-2-yl-4-(trifluoromethyl)-3H-1,5-benzodiazepine
Also Known As: ChemDiv1_028776, 7,8-dimethyl-2-(2-thienyl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine, 7,8-dimethyl-2-(thiophen-2-yl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine, 7,8-dimethyl-2-thiophen-2-yl-4-(trifluoromethyl)-3H-1,5-benzodiazepine, 7,8-dimethyl-2-(thiophen-2-yl)-4-(trifluoromethyl)-3H-benzo[b][1,4]diazepine
| Molecular Formula | C16H13F3N2S |
|---|---|
| Molecular Weight | 322.08 g/mol |
| LogP | 5.52424 |
| Topological Polar Surface Area | 24.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.07516 |
| Heavy Atoms | 22 |
| Complexity | 771.4289 |
Chemical Identifiers
| CAS Number | 440115-92-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N=C(CC(=N2)C3=CC=CS3)C(F)(F)F |
Product Overview
7,8-dimethyl-2-(thiophen-2-yl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine (CAS 440115-92-4), with molecular formula C16H13F3N2S and molecular weight 322.08 g/mol. IUPAC: 7,8-dimethyl-2-thiophen-2-yl-4-(trifluoromethyl)-3H-1,5-benzodiazepine.
Chemical Property Profile of 7,8-dimethyl-2-(thiophen-2-yl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine
Property Insights of 7,8-dimethyl-2-(thiophen-2-yl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine
The XLogP value of 5.52424 indicates that 7,8-dimethyl-2-(thiophen-2-yl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.72 Ų, 7,8-dimethyl-2-(thiophen-2-yl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,8-dimethyl-2-(thiophen-2-yl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine has 0 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 7,8-dimethyl-2-(thiophen-2-yl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine?
The CAS number of 7,8-dimethyl-2-(thiophen-2-yl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine is 440115-92-4.
What is the molecular formula of 7,8-dimethyl-2-(thiophen-2-yl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine?
The molecular formula of 7,8-dimethyl-2-(thiophen-2-yl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine is C16H13F3N2S.
What is the molecular weight of 7,8-dimethyl-2-(thiophen-2-yl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine?
The molecular weight of 7,8-dimethyl-2-(thiophen-2-yl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine is 322.08 g/mol.
Where can I buy 7,8-dimethyl-2-(thiophen-2-yl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine?
You can request a quote for 7,8-dimethyl-2-(thiophen-2-yl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8-dimethyl-2-(thiophen-2-yl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine?
Yes, KEHONG BIO provides custom synthesis services for 7,8-dimethyl-2-(thiophen-2-yl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.