1-Nitro-6-azabenzo(a)pyrene N-oxide
TL;DR: 1-Nitro-6-azabenzo(a)pyrene N-oxide (CAS 138835-33-3) is a chemical compound with molecular formula C19H10N2O3 and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15-nitro-8-oxido-8-azoniapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,8,10,12(20),13,15,17-decaene
Also Known As: 1-Nitro-6-azabenzo(a)pyrene N-oxide, 1-nitro-azaBaP N-oxide, 1-Nitro-6-azabenzo(a)pyrene-N-oxide, 1-nitro-6-azabenzo[a]pyrene N-oxide, 1-Nitronaphth(2,1,8-mna)acridine 6-oxide
| Molecular Formula | C19H10N2O3 |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 314.06915 |
| Heavy Atoms | 24 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 138835-33-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=[N+]2[O-])C=CC5=C4C(=C(C=C5)[N+](=O)[O-])C=C3 |
| InChIKey | VPZIZDPGGWCVSW-UHFFFAOYSA-N |
Product Overview
1-Nitro-6-azabenzo(a)pyrene N-oxide (CAS 138835-33-3), with molecular formula C19H10N2O3 and molecular weight 314.07 g/mol. IUPAC: 15-nitro-8-oxido-8-azoniapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,8,10,12(20),13,15,17-decaene.
Chemical Property Profile of 1-Nitro-6-azabenzo(a)pyrene N-oxide
Property Insights of 1-Nitro-6-azabenzo(a)pyrene N-oxide
The XLogP value of 4.2 indicates that 1-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 1-Nitro-6-azabenzo(a)pyrene N-oxide. Following Lipinski's Rule of Five, 1-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
Frequently Asked Questions
What is the CAS number of 1-Nitro-6-azabenzo(a)pyrene N-oxide?
The CAS number of 1-Nitro-6-azabenzo(a)pyrene N-oxide is 138835-33-3.
What is the molecular formula of 1-Nitro-6-azabenzo(a)pyrene N-oxide?
The molecular formula of 1-Nitro-6-azabenzo(a)pyrene N-oxide is C19H10N2O3.
What is the molecular weight of 1-Nitro-6-azabenzo(a)pyrene N-oxide?
The molecular weight of 1-Nitro-6-azabenzo(a)pyrene N-oxide is 314.07 g/mol.
Where can I buy 1-Nitro-6-azabenzo(a)pyrene N-oxide?
You can request a quote for 1-Nitro-6-azabenzo(a)pyrene N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-6-azabenzo(a)pyrene N-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-6-azabenzo(a)pyrene N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.