Benzo(a)pyrene, mixt. with iron oxide (Fe2-O3)
TL;DR: Benzo(a)pyrene, mixt. with iron oxide (Fe2-O3) (CAS 10038-75-2) is a chemical compound with molecular formula C20H12Fe2O3 and molecular weight 411.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzo[a]pyrene;bis(iron(3+));tris(oxygen(2-))
Also Known As: NIOSH/DJ6380200, Benzo(a)pyrene mixed with hematite (1:1), Hematite mixed with benzo(a)pyrene (1:1), 3,4-Benzopyrene mixed with hematite (1:1), Hematite mixed with 3,4-benzopyrene (1:1)
| Molecular Formula | C20H12Fe2O3 |
|---|---|
| Molecular Weight | 411.95 g/mol |
| LogP | 5.3758 |
| Topological Polar Surface Area | 3.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 411.94852 |
| Heavy Atoms | 25 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 10038-75-2 |
|---|---|
| SMILES | C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3.[O-2].[O-2].[O-2].[Fe+3].[Fe+3] |
| InChIKey | JJIZPYYLPVNQSW-UHFFFAOYSA-N |
Product Overview
Benzo(a)pyrene, mixt. with iron oxide (Fe2-O3) (CAS 10038-75-2), with molecular formula C20H12Fe2O3 and molecular weight 411.95 g/mol. IUPAC: benzo[a]pyrene;bis(iron(3+));tris(oxygen(2-)).
Chemical Property Profile of Benzo(a)pyrene, mixt. with iron oxide (Fe2-O3)
Property Insights of Benzo(a)pyrene, mixt. with iron oxide (Fe2-O3)
The XLogP value of 5.3758 indicates that Benzo(a)pyrene, mixt. with iron oxide (Fe2-O3) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.0 Ų, Benzo(a)pyrene, mixt. with iron oxide (Fe2-O3) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyrene, mixt. with iron oxide (Fe2-O3) has 0 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)pyrene, mixt. with iron oxide (Fe2-O3)?
The CAS number of Benzo(a)pyrene, mixt. with iron oxide (Fe2-O3) is 10038-75-2.
What is the molecular formula of Benzo(a)pyrene, mixt. with iron oxide (Fe2-O3)?
The molecular formula of Benzo(a)pyrene, mixt. with iron oxide (Fe2-O3) is C20H12Fe2O3.
What is the molecular weight of Benzo(a)pyrene, mixt. with iron oxide (Fe2-O3)?
The molecular weight of Benzo(a)pyrene, mixt. with iron oxide (Fe2-O3) is 411.95 g/mol.
Where can I buy Benzo(a)pyrene, mixt. with iron oxide (Fe2-O3)?
You can request a quote for Benzo(a)pyrene, mixt. with iron oxide (Fe2-O3) 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, mixt. with iron oxide (Fe2-O3)?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene, mixt. with iron oxide (Fe2-O3) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.