3-Nitrosobenzo(a)pyrene
TL;DR: 3-Nitrosobenzo(a)pyrene (CAS 120388-69-4) is a chemical compound with molecular formula C20H11NO and molecular weight 281.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitrosobenzo[a]pyrene
Also Known As: 3-nitrosobenzo[a]pyrene, 3-Nitrosobenzo(a)pyrene, Benzo(a)pyrene, 3-nitroso-, Benzo[a]pyrene, 3-nitroso-, 3-Nitrosobenzo[pqr]tetraphene
| Molecular Formula | C20H11NO |
|---|---|
| Molecular Weight | 281.08 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 281.08408 |
| Heavy Atoms | 22 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 120388-69-4 |
|---|---|
| SMILES | C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C(C=CC(=C54)C=C3)N=O |
| InChIKey | IRIRZXBJGMURSX-UHFFFAOYSA-N |
Product Overview
3-Nitrosobenzo(a)pyrene (CAS 120388-69-4), with molecular formula C20H11NO and molecular weight 281.08 g/mol. IUPAC: 3-nitrosobenzo[a]pyrene.
Chemical Property Profile of 3-Nitrosobenzo(a)pyrene
Property Insights of 3-Nitrosobenzo(a)pyrene
The XLogP value of 5.7 indicates that 3-Nitrosobenzo(a)pyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, 3-Nitrosobenzo(a)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Nitrosobenzo(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 3-Nitrosobenzo(a)pyrene?
The CAS number of 3-Nitrosobenzo(a)pyrene is 120388-69-4.
What is the molecular formula of 3-Nitrosobenzo(a)pyrene?
The molecular formula of 3-Nitrosobenzo(a)pyrene is C20H11NO.
What is the molecular weight of 3-Nitrosobenzo(a)pyrene?
The molecular weight of 3-Nitrosobenzo(a)pyrene is 281.08 g/mol.
Where can I buy 3-Nitrosobenzo(a)pyrene?
You can request a quote for 3-Nitrosobenzo(a)pyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrosobenzo(a)pyrene?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrosobenzo(a)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.