Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,3-dinitro-
TL;DR: Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,3-dinitro- (CAS 120812-50-2) 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.
6,8-dinitro-9,10,11,12-tetrahydrobenzo[e]pyrene
Also Known As: 1,3-Dinitro-H4-benzo(e)pyrene, Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,3-dinitro-, 6,8-dinitro-9,10,11,12-tetrahydrobenzo[e]pyrene, 9,10,11,12-Tetrahydro-1,3-dinitrobenzo(e)pyrene, 1,3-Dinitro-9,10,11,12-tetrahydrobenzo(e)pyrene
| Molecular Formula | C20H14N2O4 |
|---|---|
| Molecular Weight | 346.10 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 | 346.09537 |
| Heavy Atoms | 26 |
| Complexity | 600.0 |
Chemical Identifiers
| CAS Number | 120812-50-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=CC=CC4=C3C5=C(C=C4)C(=CC(=C25)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | SQVATHOPVKLFQL-UHFFFAOYSA-N |
Product Overview
Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,3-dinitro- (CAS 120812-50-2), with molecular formula C20H14N2O4 and molecular weight 346.10 g/mol. IUPAC: 6,8-dinitro-9,10,11,12-tetrahydrobenzo[e]pyrene.
Chemical Property Profile of Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,3-dinitro-
Property Insights of Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,3-dinitro-
The XLogP value of 6.1 indicates that Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,3-dinitro- 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 Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,3-dinitro-. Following Lipinski's Rule of Five, Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,3-dinitro- 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 Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,3-dinitro-?
The CAS number of Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,3-dinitro- is 120812-50-2.
What is the molecular formula of Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,3-dinitro-?
The molecular formula of Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,3-dinitro- is C20H14N2O4.
What is the molecular weight of Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,3-dinitro-?
The molecular weight of Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,3-dinitro- is 346.10 g/mol.
Where can I buy Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,3-dinitro-?
You can request a quote for Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,3-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,3-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,3-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.