5-硝基-1-萘甲腈
TL;DR: 5-硝基-1-萘甲腈 (CAS 23245-64-9) is a chemical compound with molecular formula C11H6N2O2 and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-硝基-1-萘甲腈
5-nitronaphthalene-1-carbonitrile
Also Known As: 5-Nitro-1-naphthonitrile, 5-nitronaphthalene-1-carbonitrile, 5-Nitro-1-naphthalenecarbonitrile, Konazin, 1-Naphthalenecarbonitrile, 5-nitro-
| Molecular Formula | C11H6N2O2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.04292 |
| Heavy Atoms | 15 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 23245-64-9 |
|---|---|
| SMILES | C1=CC(=C2C=CC=C(C2=C1)[N+](=O)[O-])C#N |
| InChIKey | KBRVGIIHDCBSDO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-硝基-1-萘甲腈 (CAS 23245-64-9), with molecular formula C11H6N2O2 and molecular weight 198.04 g/mol. IUPAC: 5-nitronaphthalene-1-carbonitrile.
Chemical Property Profile of 5-硝基-1-萘甲腈
Property Insights of 5-硝基-1-萘甲腈
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-硝基-1-萘甲腈. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-硝基-1-萘甲腈. Following Lipinski's Rule of Five, 5-硝基-1-萘甲腈 has 0 hydrogen bond donor(s) and 3 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-萘甲腈?
The CAS number of 5-硝基-1-萘甲腈 is 23245-64-9.
What is the molecular formula of 5-硝基-1-萘甲腈?
The molecular formula of 5-硝基-1-萘甲腈 is C11H6N2O2.
What is the molecular weight of 5-硝基-1-萘甲腈?
The molecular weight of 5-硝基-1-萘甲腈 is 198.04 g/mol.
Where can I buy 5-硝基-1-萘甲腈?
You can request a quote for 5-硝基-1-萘甲腈 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-萘甲腈?
Yes, KEHONG BIO provides custom synthesis services for 5-硝基-1-萘甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.