3,6-二硝基苯并芘
TL;DR: 3,6-二硝基苯并芘 (CAS 128714-76-1) is a chemical compound with molecular formula C20H10N2O4 and molecular weight 342.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-二硝基苯并芘
3,6-dinitrobenzo[a]pyrene
Also Known As: 3,6-Dinitrobenzo(a)pyrene, 3,6-dinitrobenzopyrene, 3,6-dinitrobenzo[a]pyrene, Benzo(a)pyrene, 3,6-dinitro-, 1,6-dinitrobenzopyrene
| Molecular Formula | C20H10N2O4 |
|---|---|
| Molecular Weight | 342.06 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 342.06406 |
| Heavy Atoms | 26 |
| Complexity | 600.0 |
Chemical Identifiers
| CAS Number | 128714-76-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=C2[N+](=O)[O-])C=CC5=C(C=CC(=C54)C=C3)[N+](=O)[O-] |
| InChIKey | FZBOFNLBBMIJMT-UHFFFAOYSA-N |
Product Overview
3,6-二硝基苯并芘 (CAS 128714-76-1), with molecular formula C20H10N2O4 and molecular weight 342.06 g/mol. IUPAC: 3,6-dinitrobenzo[a]pyrene.
Chemical Property Profile of 3,6-二硝基苯并芘
Property Insights of 3,6-二硝基苯并芘
The XLogP value of 6.1 indicates that 3,6-二硝基苯并芘 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-二硝基苯并芘. Following Lipinski's Rule of Five, 3,6-二硝基苯并芘 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,6-二硝基苯并芘?
The CAS number of 3,6-二硝基苯并芘 is 128714-76-1.
What is the molecular formula of 3,6-二硝基苯并芘?
The molecular formula of 3,6-二硝基苯并芘 is C20H10N2O4.
What is the molecular weight of 3,6-二硝基苯并芘?
The molecular weight of 3,6-二硝基苯并芘 is 342.06 g/mol.
Where can I buy 3,6-二硝基苯并芘?
You can request a quote for 3,6-二硝基苯并芘 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-二硝基苯并芘?
Yes, KEHONG BIO provides custom synthesis services for 3,6-二硝基苯并芘 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.