1-Nitrobenzo(a)pyren-8-ol
TL;DR: 1-Nitrobenzo(a)pyren-8-ol (CAS 92758-41-3) is a chemical compound with molecular formula C20H11NO3 and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitrobenzo[a]pyren-8-ol
Also Known As: 1-nitrobenzo(a)pyren-8-ol, Benzo(a)pyren-8-ol, 1-nitro-, 1-nitrobenzo[a]pyren-8-ol, 1-nitrobenzo[pqr]tetraphen-8-ol
| Molecular Formula | C20H11NO3 |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 313.07388 |
| Heavy Atoms | 24 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 92758-41-3 |
|---|---|
| SMILES | C1=CC2=CC3=C(C=CC(=C3)O)C4=C2C5=C1C=CC(=C5C=C4)[N+](=O)[O-] |
| InChIKey | KVYRULWCSLVJHL-UHFFFAOYSA-N |
Product Overview
1-Nitrobenzo(a)pyren-8-ol (CAS 92758-41-3), with molecular formula C20H11NO3 and molecular weight 313.07 g/mol. IUPAC: 1-nitrobenzo[a]pyren-8-ol.
Chemical Property Profile of 1-Nitrobenzo(a)pyren-8-ol
Property Insights of 1-Nitrobenzo(a)pyren-8-ol
The XLogP value of 5.8 indicates that 1-Nitrobenzo(a)pyren-8-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 1-Nitrobenzo(a)pyren-8-ol. Following Lipinski's Rule of Five, 1-Nitrobenzo(a)pyren-8-ol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Nitrobenzo(a)pyren-8-ol?
The CAS number of 1-Nitrobenzo(a)pyren-8-ol is 92758-41-3.
What is the molecular formula of 1-Nitrobenzo(a)pyren-8-ol?
The molecular formula of 1-Nitrobenzo(a)pyren-8-ol is C20H11NO3.
What is the molecular weight of 1-Nitrobenzo(a)pyren-8-ol?
The molecular weight of 1-Nitrobenzo(a)pyren-8-ol is 313.07 g/mol.
Where can I buy 1-Nitrobenzo(a)pyren-8-ol?
You can request a quote for 1-Nitrobenzo(a)pyren-8-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitrobenzo(a)pyren-8-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitrobenzo(a)pyren-8-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.