Benzo(a)pyrene-3,9-diol, 6-nitro-
TL;DR: Benzo(a)pyrene-3,9-diol, 6-nitro- (CAS 82039-12-1) is a chemical compound with molecular formula C20H11NO4 and molecular weight 329.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitrobenzo[a]pyrene-3,9-diol
Also Known As: Benzo(a)pyrene-3,9-diol, 6-nitro-, 6-nitrobenzo[a]pyrene-3,9-diol, 6-Nitrobenzo[pqr]tetraphene-3,9-diol
| Molecular Formula | C20H11NO4 |
|---|---|
| Molecular Weight | 329.07 g/mol |
| LogP | 5.0566 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 329.06882 |
| Heavy Atoms | 25 |
| Complexity | 1340.3562 |
Chemical Identifiers
| CAS Number | 82039-12-1 |
|---|---|
| SMILES | C1=CC2=C3C=C(C=CC3=C(C4=C2C5=C1C=CC(=C5C=C4)O)[N+](=O)[O-])O |
Product Overview
Benzo(a)pyrene-3,9-diol, 6-nitro- (CAS 82039-12-1), with molecular formula C20H11NO4 and molecular weight 329.07 g/mol. IUPAC: 6-nitrobenzo[a]pyrene-3,9-diol.
Chemical Property Profile of Benzo(a)pyrene-3,9-diol, 6-nitro-
Property Insights of Benzo(a)pyrene-3,9-diol, 6-nitro-
The XLogP value of 5.0566 indicates that Benzo(a)pyrene-3,9-diol, 6-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(a)pyrene-3,9-diol, 6-nitro-. Following Lipinski's Rule of Five, Benzo(a)pyrene-3,9-diol, 6-nitro- has 2 hydrogen bond donor(s) and 4 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)pyrene-3,9-diol, 6-nitro-?
The CAS number of Benzo(a)pyrene-3,9-diol, 6-nitro- is 82039-12-1.
What is the molecular formula of Benzo(a)pyrene-3,9-diol, 6-nitro-?
The molecular formula of Benzo(a)pyrene-3,9-diol, 6-nitro- is C20H11NO4.
What is the molecular weight of Benzo(a)pyrene-3,9-diol, 6-nitro-?
The molecular weight of Benzo(a)pyrene-3,9-diol, 6-nitro- is 329.07 g/mol.
Where can I buy Benzo(a)pyrene-3,9-diol, 6-nitro-?
You can request a quote for Benzo(a)pyrene-3,9-diol, 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)pyrene-3,9-diol, 6-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene-3,9-diol, 6-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.