1,6-Dinitrotetrahydrobenzo(e)pyrene
TL;DR: 1,6-Dinitrotetrahydrobenzo(e)pyrene (CAS 134874-64-9) is a chemical compound with molecular formula C20H14N2O4 and molecular weight 346.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,6-dinitro-1,2,3,12b-tetrahydrobenzo[e]pyrene
Also Known As: 1,6-Dinitrotetrahydrobenzo(e)pyrene, 1,6-dinitro-1,2,3,12b-tetrahydrobenzo[e]pyrene
| Molecular Formula | C20H14N2O4 |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 346.09537 |
| Heavy Atoms | 26 |
| Complexity | 600.0 |
Chemical Identifiers
| CAS Number | 134874-64-9 |
|---|---|
| SMILES | C1CC2=C3C(C1[N+](=O)[O-])C4=CC=CC=C4C5=C3C(=C(C=C5)[N+](=O)[O-])C=C2 |
| InChIKey | LROWGFLTOXCEOX-UHFFFAOYSA-N |
Product Overview
1,6-Dinitrotetrahydrobenzo(e)pyrene (CAS 134874-64-9), with molecular formula C20H14N2O4 and molecular weight 346.10 g/mol. IUPAC: 1,6-dinitro-1,2,3,12b-tetrahydrobenzo[e]pyrene.
Chemical Property Profile of 1,6-Dinitrotetrahydrobenzo(e)pyrene
Property Insights of 1,6-Dinitrotetrahydrobenzo(e)pyrene
The XLogP value of 4.6 indicates that 1,6-Dinitrotetrahydrobenzo(e)pyrene 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 1,6-Dinitrotetrahydrobenzo(e)pyrene. Following Lipinski's Rule of Five, 1,6-Dinitrotetrahydrobenzo(e)pyrene 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 1,6-Dinitrotetrahydrobenzo(e)pyrene?
The CAS number of 1,6-Dinitrotetrahydrobenzo(e)pyrene is 134874-64-9.
What is the molecular formula of 1,6-Dinitrotetrahydrobenzo(e)pyrene?
The molecular formula of 1,6-Dinitrotetrahydrobenzo(e)pyrene is C20H14N2O4.
What is the molecular weight of 1,6-Dinitrotetrahydrobenzo(e)pyrene?
The molecular weight of 1,6-Dinitrotetrahydrobenzo(e)pyrene is 346.10 g/mol.
Where can I buy 1,6-Dinitrotetrahydrobenzo(e)pyrene?
You can request a quote for 1,6-Dinitrotetrahydrobenzo(e)pyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Dinitrotetrahydrobenzo(e)pyrene?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Dinitrotetrahydrobenzo(e)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.