Benzo(a)pyrene, 2-nitro-
TL;DR: Benzo(a)pyrene, 2-nitro- (CAS 138542-40-2) is a chemical compound with molecular formula C20H11NO2 and molecular weight 297.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitrobenzo[a]pyrene
Also Known As: 2-nitrobenzo[a]pyrene, 2-Nitrobenzo(a)pyrene, Benzo(a)pyrene, 2-nitro-, Nitrobenzo[a]pyrene, 2-, 2-Nitrobenzo[pqr]tetraphene
| Molecular Formula | C20H11NO2 |
|---|---|
| Molecular Weight | 297.08 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 | 297.07898 |
| Heavy Atoms | 23 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 138542-40-2 |
|---|---|
| SMILES | C1=CC=C2C3=C4C(=CC2=C1)C=CC5=CC(=CC(=C54)C=C3)[N+](=O)[O-] |
| InChIKey | GYEJGVYFCBTODU-UHFFFAOYSA-N |
Product Overview
Benzo(a)pyrene, 2-nitro- (CAS 138542-40-2), with molecular formula C20H11NO2 and molecular weight 297.08 g/mol. IUPAC: 2-nitrobenzo[a]pyrene.
Chemical Property Profile of Benzo(a)pyrene, 2-nitro-
Property Insights of Benzo(a)pyrene, 2-nitro-
The XLogP value of 5.8 indicates that Benzo(a)pyrene, 2-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, Benzo(a)pyrene, 2-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyrene, 2-nitro- 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 Benzo(a)pyrene, 2-nitro-?
The CAS number of Benzo(a)pyrene, 2-nitro- is 138542-40-2.
What is the molecular formula of Benzo(a)pyrene, 2-nitro-?
The molecular formula of Benzo(a)pyrene, 2-nitro- is C20H11NO2.
What is the molecular weight of Benzo(a)pyrene, 2-nitro-?
The molecular weight of Benzo(a)pyrene, 2-nitro- is 297.08 g/mol.
Where can I buy Benzo(a)pyrene, 2-nitro-?
You can request a quote for Benzo(a)pyrene, 2-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(a)pyrene, 2-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene, 2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.