1,8-二硝基萘
TL;DR: 1,8-二硝基萘 (CAS 602-38-0) is a chemical compound with molecular formula C10H6N2O4 and molecular weight 218.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-二硝基萘
1,8-dinitronaphthalene
Also Known As: 1,8-DINITRONAPHTHALENE, Cyheptropine, Naphthalene, 1,8-dinitro-, 1,8-dinitro-naphthalen, Naphthalene,8-dinitro-
| Molecular Formula | C10H6N2O4 |
|---|---|
| Molecular Weight | 218.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.03276 |
| Heavy Atoms | 16 |
| Complexity | 268.0 |
| Melting Point | 340 to 172.2 °C |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Vapor Pressure | 0.00000428 [mmHg] |
Chemical Identifiers
| CAS Number | 602-38-0 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])C(=CC=C2)[N+](=O)[O-] |
| InChIKey | AVCSMMMOCOTIHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,8-二硝基萘 (CAS 602-38-0), with molecular formula C10H6N2O4 and molecular weight 218.03 g/mol. IUPAC: 1,8-dinitronaphthalene.
Chemical Property Profile of 1,8-二硝基萘
Property Insights of 1,8-二硝基萘
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,8-二硝基萘. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,8-二硝基萘. Following Lipinski's Rule of Five, 1,8-二硝基萘 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 1,8-二硝基萘?
The CAS number of 1,8-二硝基萘 is 602-38-0.
What is the molecular formula of 1,8-二硝基萘?
The molecular formula of 1,8-二硝基萘 is C10H6N2O4.
What is the molecular weight of 1,8-二硝基萘?
The molecular weight of 1,8-二硝基萘 is 218.03 g/mol.
Where can I buy 1,8-二硝基萘?
You can request a quote for 1,8-二硝基萘 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-二硝基萘?
Yes, KEHONG BIO provides custom synthesis services for 1,8-二硝基萘 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.