![4-Nitrobenzo[a]pyren-1-ol structure](/static/products/8203/82039-09-6.webp)
4-Nitrobenzo[a]pyren-1-ol
TL;DR: 4-Nitrobenzo[a]pyren-1-ol (CAS 82039-09-6) is a chemical compound with molecular formula C20H11NO3 and molecular weight 313.07388 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-nitrobenzo[a]pyren-1-ol
Also Known As: 4-nitrobenzo[a]pyren-1-ol, 6-Nitrobenzo(a)pyren-3-ol, Benzo(a)pyren-3-ol, 6-nitro-, 4-Nitrobenzo[pqr]tetraphen-1-ol, 3-HYDROXY-6-NITROBENZO(A)PYRENE
Technical Specifications
| Molecular Formula | C20H11NO3 |
| Molecular Weight | 313.07388 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 313.07388 Da |
| Heavy Atoms | 24 |
| Complexity | 518.0 |
| SMILES | C1=CC=C2C3=C4C(=CC2=C1)C=C(C5=C4C(=C(C=C5)O)C=C3)[N+](=O)[O-] |
| InChIKey | OISGCZPPZGEACZ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Nitrobenzo[a]pyren-1-ol
Property Insights of 4-Nitrobenzo[a]pyren-1-ol
The XLogP value of 5.8 indicates that 4-Nitrobenzo[a]pyren-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrobenzo[a]pyren-1-ol. Following Lipinski's Rule of Five, 4-Nitrobenzo[a]pyren-1-ol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-Nitrobenzo[a]pyren-1-ol?
The CAS number of 4-Nitrobenzo[a]pyren-1-ol is 82039-09-6.
What is the molecular formula of 4-Nitrobenzo[a]pyren-1-ol?
The molecular formula of 4-Nitrobenzo[a]pyren-1-ol is C20H11NO3.
What is the molecular weight of 4-Nitrobenzo[a]pyren-1-ol?
The molecular weight of 4-Nitrobenzo[a]pyren-1-ol is 313.07388 g/mol.
Where can I buy 4-Nitrobenzo[a]pyren-1-ol?
You can request a quote for 4-Nitrobenzo[a]pyren-1-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Nitrobenzo[a]pyren-1-ol?
Yes, CoreyChem provides custom synthesis services for 4-Nitrobenzo[a]pyren-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.