(间硝基亚苄基)丙二腈
TL;DR: (间硝基亚苄基)丙二腈 (CAS 2826-32-6) is a chemical compound with molecular formula C10H5N3O2 and molecular weight 199.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(间硝基亚苄基)丙二腈
2-[(3-nitrophenyl)methylidene]propanedinitrile
Also Known As: (3-Nitrobenzylidene)malononitrile, 2-(3-Nitrobenzylidene)malononitrile, m-Nitrobenzylidenemalononitrile, 2- propanedinitrile, 3-Nitrobenzylidene malononitrile
| Molecular Formula | C10H5N3O2 |
|---|---|
| Molecular Weight | 199.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.03818 |
| Heavy Atoms | 15 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 2826-32-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C=C(C#N)C#N |
| InChIKey | UQMJZLGIKHAOQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(间硝基亚苄基)丙二腈 (CAS 2826-32-6), with molecular formula C10H5N3O2 and molecular weight 199.04 g/mol. IUPAC: 2-[(3-nitrophenyl)methylidene]propanedinitrile.
Chemical Property Profile of (间硝基亚苄基)丙二腈
Property Insights of (间硝基亚苄基)丙二腈
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (间硝基亚苄基)丙二腈. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (间硝基亚苄基)丙二腈. Following Lipinski's Rule of Five, (间硝基亚苄基)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 (间硝基亚苄基)丙二腈?
The CAS number of (间硝基亚苄基)丙二腈 is 2826-32-6.
What is the molecular formula of (间硝基亚苄基)丙二腈?
The molecular formula of (间硝基亚苄基)丙二腈 is C10H5N3O2.
What is the molecular weight of (间硝基亚苄基)丙二腈?
The molecular weight of (间硝基亚苄基)丙二腈 is 199.04 g/mol.
Where can I buy (间硝基亚苄基)丙二腈?
You can request a quote for (间硝基亚苄基)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 (间硝基亚苄基)丙二腈?
Yes, KEHONG BIO provides custom synthesis services for (间硝基亚苄基)丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.