![[1-(3-硝基苯基)亚乙基]丙二腈 structure](/static/products/1201/120131-35-3.webp)
[1-(3-硝基苯基)亚乙基]丙二腈
TL;DR: [1-(3-硝基苯基)亚乙基]丙二腈 (CAS 120131-35-3) is a chemical compound with molecular formula C11H7N3O2 and molecular weight 213.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(3-硝基苯基)亚乙基]丙二腈
2-[1-(3-nitrophenyl)ethylidene]propanedinitrile
Also Known As: [1-(3-nitrophenyl)ethylidene]malononitrile|2-[1-(3-nitrophenyl)ethylidene]-malononitrile|[1-(3-nitrophenyl)ethylidene]propanedinitrile|2-[1-(3-Nitrophenyl)ethylidene]malononitrile #|2-[1-(3-nitrophenyl)ethylidene]propanedinitrile|2-[1-(4-Nitro-phenyl)-ethylidene]malononitrile|YTIUEPAVXSIACJ-UHFFFAOYSA-N|ALBB-033854|MFCD28897452
| Molecular Formula | C11H7N3O2 |
|---|---|
| Molecular Weight | 213.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.05383 |
| Heavy Atoms | 16 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 120131-35-3 |
|---|---|
| SMILES | CC(=C(C#N)C#N)C1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | YTIUEPAVXSIACJ-UHFFFAOYSA-N |
Product Overview
[1-(3-硝基苯基)亚乙基]丙二腈 (CAS 120131-35-3), with molecular formula C11H7N3O2 and molecular weight 213.05 g/mol. IUPAC: 2-[1-(3-nitrophenyl)ethylidene]propanedinitrile.
Chemical Property Profile of [1-(3-硝基苯基)亚乙基]丙二腈
Property Insights of [1-(3-硝基苯基)亚乙基]丙二腈
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1-(3-硝基苯基)亚乙基]丙二腈. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-(3-硝基苯基)亚乙基]丙二腈. Following Lipinski's Rule of Five, [1-(3-硝基苯基)亚乙基]丙二腈 has 0 hydrogen bond donor(s) and 4 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 [1-(3-硝基苯基)亚乙基]丙二腈?
The CAS number of [1-(3-硝基苯基)亚乙基]丙二腈 is 120131-35-3.
What is the molecular formula of [1-(3-硝基苯基)亚乙基]丙二腈?
The molecular formula of [1-(3-硝基苯基)亚乙基]丙二腈 is C11H7N3O2.
What is the molecular weight of [1-(3-硝基苯基)亚乙基]丙二腈?
The molecular weight of [1-(3-硝基苯基)亚乙基]丙二腈 is 213.05 g/mol.
Where can I buy [1-(3-硝基苯基)亚乙基]丙二腈?
You can request a quote for [1-(3-硝基苯基)亚乙基]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 [1-(3-硝基苯基)亚乙基]丙二腈?
Yes, KEHONG BIO provides custom synthesis services for [1-(3-硝基苯基)亚乙基]丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.