1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane
TL;DR: 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane (CAS 7061-52-1) is a chemical compound with molecular formula C28H25N3O5S and molecular weight 515.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-hydroxy-3-methoxyphenyl)methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Also Known As: 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane, 3,6-Ethano-2,7-methanonaphth[2,3-b]oxirene (9CI), 2-[(4-hydroxy-3-methoxyphenyl)methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide, 2-[(4-Hydroxy-3-methoxyphenyl)methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboximidic acid
| Molecular Formula | C28H25N3O5S |
|---|---|
| Molecular Weight | 515.15 g/mol |
| LogP | 3.79794 |
| Topological Polar Surface Area | 106.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 515.1515 |
| Heavy Atoms | 37 |
| Complexity | 1741.644 |
Chemical Identifiers
| CAS Number | 7061-52-1 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(N=C3N(C2C4=CC=C(O4)C)C(=O)C(=CC5=CC(=C(C=C5)O)OC)S3)C |
Product Overview
1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane (CAS 7061-52-1), with molecular formula C28H25N3O5S and molecular weight 515.15 g/mol. IUPAC: 2-[(4-hydroxy-3-methoxyphenyl)methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
Chemical Property Profile of 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane
Property Insights of 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane
The XLogP value of 3.79794 indicates that 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane. Following Lipinski's Rule of Five, 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane?
The CAS number of 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane is 7061-52-1.
What is the molecular formula of 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane?
The molecular formula of 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane is C28H25N3O5S.
What is the molecular weight of 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane?
The molecular weight of 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane is 515.15 g/mol.
Where can I buy 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane?
You can request a quote for 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane?
Yes, KEHONG BIO provides custom synthesis services for 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.