(5-硝基糠亚基基)丙二腈
TL;DR: (5-硝基糠亚基基)丙二腈 (CAS 69527-46-4) is a chemical compound with molecular formula C8H3N3O3 and molecular weight 189.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-硝基糠亚基基)丙二腈
2-[(5-nitrofuran-2-yl)methylidene]propanedinitrile
Also Known As: (5-Nitrofurfural)malononitrile, (5-Nitrofurfurylidene)malononitrile, MALONONITRILE, (5-NITROFURFURYLIDENE)-, 5-Nitro-2-furfurylidenemalononitrile, NCIOpen2_001096
| Molecular Formula | C8H3N3O3 |
|---|---|
| Molecular Weight | 189.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.01744 |
| Heavy Atoms | 14 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 69527-46-4 |
|---|---|
| SMILES | C1=C(OC(=C1)[N+](=O)[O-])C=C(C#N)C#N |
| InChIKey | JVBPKACNQGCPNB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(5-硝基糠亚基基)丙二腈 (CAS 69527-46-4), with molecular formula C8H3N3O3 and molecular weight 189.02 g/mol. IUPAC: 2-[(5-nitrofuran-2-yl)methylidene]propanedinitrile.
Chemical Property Profile of (5-硝基糠亚基基)丙二腈
Property Insights of (5-硝基糠亚基基)丙二腈
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-硝基糠亚基基)丙二腈. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-硝基糠亚基基)丙二腈. Following Lipinski's Rule of Five, (5-硝基糠亚基基)丙二腈 has 0 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-硝基糠亚基基)丙二腈?
The CAS number of (5-硝基糠亚基基)丙二腈 is 69527-46-4.
What is the molecular formula of (5-硝基糠亚基基)丙二腈?
The molecular formula of (5-硝基糠亚基基)丙二腈 is C8H3N3O3.
What is the molecular weight of (5-硝基糠亚基基)丙二腈?
The molecular weight of (5-硝基糠亚基基)丙二腈 is 189.02 g/mol.
Where can I buy (5-硝基糠亚基基)丙二腈?
You can request a quote for (5-硝基糠亚基基)丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-硝基糠亚基基)丙二腈?
Yes, KEHONG BIO provides custom synthesis services for (5-硝基糠亚基基)丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.