Benzo(a)pyrene, monopicrate
TL;DR: Benzo(a)pyrene, monopicrate (CAS 5929-01-1) is a chemical compound with molecular formula C26H15N3O7 and molecular weight 481.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzo[a]pyrene;2,4,6-trinitrophenol
Also Known As: 1:2-Benzpyrene picrate, 3,4-Benzpyrene picrate, Benzo(a)pyrene, monopicrate, benzo[a]pyrene; 2,4,6-trinitrophenol, 2,4,6-trinitrophenol- benzo[pqr]tetraphene(1:1)
| Molecular Formula | C26H15N3O7 |
|---|---|
| Molecular Weight | 481.09 g/mol |
| LogP | 6.85 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 481.091 |
| Heavy Atoms | 36 |
| Complexity | 664.0 |
Chemical Identifiers
| CAS Number | 5929-01-1 |
|---|---|
| SMILES | C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | QDOWKRRPTWSHRT-UHFFFAOYSA-N |
Product Overview
Benzo(a)pyrene, monopicrate (CAS 5929-01-1), with molecular formula C26H15N3O7 and molecular weight 481.09 g/mol. IUPAC: benzo[a]pyrene;2,4,6-trinitrophenol.
Chemical Property Profile of Benzo(a)pyrene, monopicrate
Property Insights of Benzo(a)pyrene, monopicrate
The XLogP value of 6.85 indicates that Benzo(a)pyrene, monopicrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting Benzo(a)pyrene, monopicrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzo(a)pyrene, monopicrate has 1 hydrogen bond donor(s) and 7 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, monopicrate?
The CAS number of Benzo(a)pyrene, monopicrate is 5929-01-1.
What is the molecular formula of Benzo(a)pyrene, monopicrate?
The molecular formula of Benzo(a)pyrene, monopicrate is C26H15N3O7.
What is the molecular weight of Benzo(a)pyrene, monopicrate?
The molecular weight of Benzo(a)pyrene, monopicrate is 481.09 g/mol.
Where can I buy Benzo(a)pyrene, monopicrate?
You can request a quote for Benzo(a)pyrene, monopicrate 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, monopicrate?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene, monopicrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.