5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
TL;DR: 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine (CAS 240122-26-3) is a chemical compound with molecular formula C10H8F3N3O2S and molecular weight 291.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
Also Known As: 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine, AO-990/15068098, 2,3-Dihydro-5-(5-nitro-2-thienyl)-7-(trifluoromethyl)-1H-1,4-diazepine, 5-{5-nitro-2-thienyl}-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
| Molecular Formula | C10H8F3N3O2S |
|---|---|
| Molecular Weight | 291.03 g/mol |
| LogP | 2.4948 |
| Topological Polar Surface Area | 67.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.02893 |
| Heavy Atoms | 19 |
| Complexity | 562.61127 |
Chemical Identifiers
| CAS Number | 240122-26-3 |
|---|---|
| SMILES | C1CN=C(C=C(N1)C(F)(F)F)C2=CC=C(S2)[N+](=O)[O-] |
Product Overview
5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine (CAS 240122-26-3), with molecular formula C10H8F3N3O2S and molecular weight 291.03 g/mol. IUPAC: 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine.
Chemical Property Profile of 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
Property Insights of 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
The XLogP value of 2.4948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine. The TPSA of 67.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine. Following Lipinski's Rule of Five, 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
The CAS number of 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine is 240122-26-3.
What is the molecular formula of 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
The molecular formula of 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine is C10H8F3N3O2S.
What is the molecular weight of 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
The molecular weight of 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine is 291.03 g/mol.
Where can I buy 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
You can request a quote for 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
Yes, KEHONG BIO provides custom synthesis services for 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.