(5-硝基-1-萘基)亚甲基丙二腈
TL;DR: (5-硝基-1-萘基)亚甲基丙二腈 (CAS 101756-37-0) is a chemical compound with molecular formula C14H7N3O2 and molecular weight 249.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-硝基-1-萘基)亚甲基丙二腈
2-[(5-nitronaphthalen-1-yl)methylidene]propanedinitrile
Also Known As: (5-Nitro-1-naphthyl)methylenemalononitrile, (5-Nitro-1-naphthalenemethylene)malononitrile, MALONONITRILE, (5-NITRO-1-NAPHTHYL)METHYLENE-, 5-Nitro-1-naphthylmethylenemalononitrile, [(5-nitronaphthalen-1-yl)methylidene]propanedinitrile
| Molecular Formula | C14H7N3O2 |
|---|---|
| Molecular Weight | 249.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.05383 |
| Heavy Atoms | 19 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 101756-37-0 |
|---|---|
| SMILES | C1=CC(=C2C=CC=C(C2=C1)[N+](=O)[O-])C=C(C#N)C#N |
| InChIKey | AFBYHNFGZKLUDZ-UHFFFAOYSA-N |
Product Overview
(5-硝基-1-萘基)亚甲基丙二腈 (CAS 101756-37-0), with molecular formula C14H7N3O2 and molecular weight 249.05 g/mol. IUPAC: 2-[(5-nitronaphthalen-1-yl)methylidene]propanedinitrile.
Chemical Property Profile of (5-硝基-1-萘基)亚甲基丙二腈
Property Insights of (5-硝基-1-萘基)亚甲基丙二腈
The XLogP value of 3.1 indicates that (5-硝基-1-萘基)亚甲基丙二腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-硝基-1-萘基)亚甲基丙二腈. Following Lipinski's Rule of Five, (5-硝基-1-萘基)亚甲基丙二腈 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 (5-硝基-1-萘基)亚甲基丙二腈?
The CAS number of (5-硝基-1-萘基)亚甲基丙二腈 is 101756-37-0.
What is the molecular formula of (5-硝基-1-萘基)亚甲基丙二腈?
The molecular formula of (5-硝基-1-萘基)亚甲基丙二腈 is C14H7N3O2.
What is the molecular weight of (5-硝基-1-萘基)亚甲基丙二腈?
The molecular weight of (5-硝基-1-萘基)亚甲基丙二腈 is 249.05 g/mol.
Where can I buy (5-硝基-1-萘基)亚甲基丙二腈?
You can request a quote for (5-硝基-1-萘基)亚甲基丙二腈 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-1-萘基)亚甲基丙二腈?
Yes, KEHONG BIO provides custom synthesis services for (5-硝基-1-萘基)亚甲基丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.