4-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene
TL;DR: 4-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene (CAS 134998-79-1) is a chemical compound with molecular formula C20H15NO2 and molecular weight 301.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-9,10,11,12-tetrahydrobenzo[e]pyrene
Also Known As: 5-nitro-9,10,11,12-tetrahydrobenzo[e]pyrene, 4-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene, 4-nitro-9,10,11,12-tetrahydrobenzo[e]pyrene, Benzo(e)pyrene, 9,10,11,12-tetrahydro-4-nitro-, 9,10,11,12-Tetrahydro-4-nitrobenzo[e]pyrene
| Molecular Formula | C20H15NO2 |
|---|---|
| Molecular Weight | 301.11 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 301.1103 |
| Heavy Atoms | 23 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 134998-79-1 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=CC=CC4=CC(=C5C=CC=C2C5=C43)[N+](=O)[O-] |
| InChIKey | IPLPTZVDWUUJQN-UHFFFAOYSA-N |
Product Overview
4-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene (CAS 134998-79-1), with molecular formula C20H15NO2 and molecular weight 301.11 g/mol. IUPAC: 5-nitro-9,10,11,12-tetrahydrobenzo[e]pyrene.
Chemical Property Profile of 4-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene
Property Insights of 4-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene
The XLogP value of 5.7 indicates that 4-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 4-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene?
The CAS number of 4-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene is 134998-79-1.
What is the molecular formula of 4-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene?
The molecular formula of 4-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene is C20H15NO2.
What is the molecular weight of 4-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene?
The molecular weight of 4-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene is 301.11 g/mol.
Where can I buy 4-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene?
You can request a quote for 4-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.