6-Nitro-4,5-dihydrobenzo(a)pyrene
TL;DR: 6-Nitro-4,5-dihydrobenzo(a)pyrene (CAS 97931-39-0) is a chemical compound with molecular formula C20H13NO2 and molecular weight 299.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-4,5-dihydrobenzo[a]pyrene
Also Known As: 6-Nitro-4,5-dihydrobenzo(a)pyrene, 4,5-Dihydro-6-nitrobenzo(a)pyrene, 6-nitro-4,5-dihydrobenzo[a]pyrene, BENZO(a)PYRENE, 4,5-DIHYDRO-6-NITRO-, 6-Nitro-4,5-dihydrobenzo[pqr]tetraphene
| Molecular Formula | C20H13NO2 |
|---|---|
| Molecular Weight | 299.09 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 299.09464 |
| Heavy Atoms | 23 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 97931-39-0 |
|---|---|
| SMILES | C1CC2=C(C3=CC=CC=C3C4=C2C5=C(C=CC=C51)C=C4)[N+](=O)[O-] |
| InChIKey | OWKQOIGGVHVVQP-UHFFFAOYSA-N |
Product Overview
6-Nitro-4,5-dihydrobenzo(a)pyrene (CAS 97931-39-0), with molecular formula C20H13NO2 and molecular weight 299.09 g/mol. IUPAC: 6-nitro-4,5-dihydrobenzo[a]pyrene.
Chemical Property Profile of 6-Nitro-4,5-dihydrobenzo(a)pyrene
Property Insights of 6-Nitro-4,5-dihydrobenzo(a)pyrene
The XLogP value of 5.8 indicates that 6-Nitro-4,5-dihydrobenzo(a)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, 6-Nitro-4,5-dihydrobenzo(a)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Nitro-4,5-dihydrobenzo(a)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 6-Nitro-4,5-dihydrobenzo(a)pyrene?
The CAS number of 6-Nitro-4,5-dihydrobenzo(a)pyrene is 97931-39-0.
What is the molecular formula of 6-Nitro-4,5-dihydrobenzo(a)pyrene?
The molecular formula of 6-Nitro-4,5-dihydrobenzo(a)pyrene is C20H13NO2.
What is the molecular weight of 6-Nitro-4,5-dihydrobenzo(a)pyrene?
The molecular weight of 6-Nitro-4,5-dihydrobenzo(a)pyrene is 299.09 g/mol.
Where can I buy 6-Nitro-4,5-dihydrobenzo(a)pyrene?
You can request a quote for 6-Nitro-4,5-dihydrobenzo(a)pyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitro-4,5-dihydrobenzo(a)pyrene?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitro-4,5-dihydrobenzo(a)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.