Benzo(a)pyren-1-ol, 6-nitro-
TL;DR: Benzo(a)pyren-1-ol, 6-nitro- (CAS 82039-10-9) 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.
4-nitrobenzo[a]pyren-11-ol
Also Known As: 6-Nitrobenzo(a)pyren-1-ol, Benzo(a)pyren-1-ol, 6-nitro-, 4-nitrobenzo[a]pyren-11-ol, 4-Nitrobenzo[pqr]tetraphen-11-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 | 82039-10-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C3C=C(C4=CC=CC5=CC(=C2C3=C54)O)[N+](=O)[O-] |
| InChIKey | LRZHJBZHYCVRSK-UHFFFAOYSA-N |
Product Overview
Benzo(a)pyren-1-ol, 6-nitro- (CAS 82039-10-9), with molecular formula C20H11NO3 and molecular weight 313.07 g/mol. IUPAC: 4-nitrobenzo[a]pyren-11-ol.
Chemical Property Profile of Benzo(a)pyren-1-ol, 6-nitro-
Property Insights of Benzo(a)pyren-1-ol, 6-nitro-
The XLogP value of 5.8 indicates that Benzo(a)pyren-1-ol, 6-nitro- 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 Benzo(a)pyren-1-ol, 6-nitro-. Following Lipinski's Rule of Five, Benzo(a)pyren-1-ol, 6-nitro- 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 Benzo(a)pyren-1-ol, 6-nitro-?
The CAS number of Benzo(a)pyren-1-ol, 6-nitro- is 82039-10-9.
What is the molecular formula of Benzo(a)pyren-1-ol, 6-nitro-?
The molecular formula of Benzo(a)pyren-1-ol, 6-nitro- is C20H11NO3.
What is the molecular weight of Benzo(a)pyren-1-ol, 6-nitro-?
The molecular weight of Benzo(a)pyren-1-ol, 6-nitro- is 313.07 g/mol.
Where can I buy Benzo(a)pyren-1-ol, 6-nitro-?
You can request a quote for Benzo(a)pyren-1-ol, 6-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(a)pyren-1-ol, 6-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyren-1-ol, 6-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.