5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium nitrate
TL;DR: 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium nitrate (CAS 240122-27-4) is a chemical compound with molecular formula C10H9F3N4O5S and molecular weight 354.02 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-diazepin-4-ium nitrate
Also Known As: 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium nitrate, 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium;nitrate, 2,3-dihydro-5-(2'-nitrothenyl)-7-trifluoromethyl-diazepinium nitrate, 2,3-Dihydro-5-(2-nitrothienyl)-7-(trifluoromethyl)diazepinium nitrate, 2,3-Dihydro-5-(2-nitrothienyl)-7-(trifluoromethyl)diazepinium nitrate 98%
| Molecular Formula | C10H9F3N4O5S |
|---|---|
| Molecular Weight | 354.02 g/mol |
| LogP | 0.3363 |
| Topological Polar Surface Area | 135.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.02457 |
| Heavy Atoms | 23 |
| Complexity | 651.16675 |
Chemical Identifiers
| CAS Number | 240122-27-4 |
|---|---|
| SMILES | C1C[NH+]=C(C=C(N1)C(F)(F)F)C2=CC=C(S2)[N+](=O)[O-].[N+](=O)([O-])[O-] |
Product Overview
5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium nitrate (CAS 240122-27-4), with molecular formula C10H9F3N4O5S and molecular weight 354.02 g/mol. IUPAC: 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium nitrate.
Chemical Property Profile of 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium nitrate
Property Insights of 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium nitrate
The XLogP value of 0.3363 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium nitrate. The TPSA of 135.34 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-diazepin-4-ium nitrate. Following Lipinski's Rule of Five, 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium nitrate has 2 hydrogen bond donor(s) and 7 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-diazepin-4-ium nitrate?
The CAS number of 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium nitrate is 240122-27-4.
What is the molecular formula of 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium nitrate?
The molecular formula of 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium nitrate is C10H9F3N4O5S.
What is the molecular weight of 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium nitrate?
The molecular weight of 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium nitrate is 354.02 g/mol.
Where can I buy 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium nitrate?
You can request a quote for 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium nitrate 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-diazepin-4-ium nitrate?
Yes, KEHONG BIO provides custom synthesis services for 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.