3-Nitro-6-azabenzo(a)pyrene N-oxide
TL;DR: 3-Nitro-6-azabenzo(a)pyrene N-oxide (CAS 138835-34-4) is a chemical compound with molecular formula C19H10N2O3 and molecular weight 314.06915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
13-nitro-8-oxido-8-azoniapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene
Also Known As: 3-Nitro-6-azabenzo(a)pyrene N-oxide, 3-nitro-6-azaBaP N-oxide, 3-N-6-ABPO, 3-nitro-6-azabenzo pyreneN-oxide, 3-Nitro-6-azabenzo(a)pyrene-N-oxide
Technical Specifications
| Molecular Formula | C19H10N2O3 |
| Molecular Weight | 314.06915 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 314.06915 Da |
| Heavy Atoms | 24 |
| Complexity | 521.0 |
| SMILES | C1=CC=C2C(=C1)C3=C4C(=[N+]2[O-])C=CC5=C(C=CC(=C54)C=C3)[N+](=O)[O-] |
| InChIKey | VUABPVGKRFXVOR-UHFFFAOYSA-N |
Chemical Property Profile of 3-Nitro-6-azabenzo(a)pyrene N-oxide
Property Insights of 3-Nitro-6-azabenzo(a)pyrene N-oxide
The XLogP value of 4.2 indicates that 3-Nitro-6-azabenzo(a)pyrene N-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-6-azabenzo(a)pyrene N-oxide. Following Lipinski's Rule of Five, 3-Nitro-6-azabenzo(a)pyrene N-oxide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Nitro-6-azabenzo(a)pyrene N-oxide?
The CAS number of 3-Nitro-6-azabenzo(a)pyrene N-oxide is 138835-34-4.
What is the molecular formula of 3-Nitro-6-azabenzo(a)pyrene N-oxide?
The molecular formula of 3-Nitro-6-azabenzo(a)pyrene N-oxide is C19H10N2O3.
What is the molecular weight of 3-Nitro-6-azabenzo(a)pyrene N-oxide?
The molecular weight of 3-Nitro-6-azabenzo(a)pyrene N-oxide is 314.06915 g/mol.
Where can I buy 3-Nitro-6-azabenzo(a)pyrene N-oxide?
You can request a quote for 3-Nitro-6-azabenzo(a)pyrene N-oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Nitro-6-azabenzo(a)pyrene N-oxide?
Yes, CoreyChem provides custom synthesis services for 3-Nitro-6-azabenzo(a)pyrene N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.