Dibenzo(a,i)pyrene
TL;DR: Dibenzo(a,i)pyrene (CAS 189-55-9) is a chemical compound with molecular formula C24H14 and molecular weight 302.10956 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18,20(24),21-dodecaene
Also Known As: Benzo[rst]pentaphene, Dibenzo[a,i]pyrene, DIBENZO(A,I)PYRENE, Benzo(rst)pentaphene, Dibenzo(b,h)pyrene
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C24H14 |
| Molecular Weight | 302.10956 g/mol |
| XLogP | 7.3 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 302.10956 Da |
| Heavy Atoms | 24 |
| Complexity | 436.0 |
| Melting Point | 283.6 °C |
| Boiling Point | BP: 275 °C at 0.05 mm Hg |
| Solubility | Soluble in 1,4-dioxane, boiling glacial acetic acid (2 g/L) and boiling benzene (5 g/L); almost insoluble in diethyl ether and ethanol |
| SMILES | C1=CC=C2C3=C4C(=CC2=C1)C=CC5=CC6=CC=CC=C6C(=C54)C=C3 |
| InChIKey | TUGYIJVAYAHHHM-UHFFFAOYSA-N |
Product Description
Applications: Dibenzo(a,i)pyrene is used in pharmaceutical synthesis routes and API production, as well as specialty chemical manufacturing and formulation. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Dibenzo(a,i)pyrene (CAS 189-55-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Dibenzo(a,i)pyrene (CAS 189-55-9) has the molecular formula C24H14 and a molecular weight of 302.11 g/mol. Reported properties include a solubility: Soluble in 1,4-dioxane, boiling glacial acetic acid (2 g/L) and boiling benzene (5 g/L); almost insoluble in diethyl ether and ethanol. It is also known as Benzo[rst]pentaphene and Dibenzo[a,i]pyrene.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Dibenzo(a,i)pyrene
Property Insights of Dibenzo(a,i)pyrene
The XLogP value of 7.3 indicates that Dibenzo(a,i)pyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Dibenzo(a,i)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo(a,i)pyrene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Dibenzo(a,i)pyrene?
The CAS number of Dibenzo(a,i)pyrene is 189-55-9.
What is the molecular formula of Dibenzo(a,i)pyrene?
The molecular formula of Dibenzo(a,i)pyrene is C24H14.
What is the molecular weight of Dibenzo(a,i)pyrene?
The molecular weight of Dibenzo(a,i)pyrene is 302.10956 g/mol.
What are the applications of Dibenzo(a,i)pyrene?
Dibenzo(a,i)pyrene is used in pharmaceutical synthesis routes and API production, as well as specialty chemical manufacturing and formulation. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Dibenzo(a,i)pyrene (CAS 189-55-9) with custom synthesis...
Where can I buy Dibenzo(a,i)pyrene?
You can request a quote for Dibenzo(a,i)pyrene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dibenzo(a,i)pyrene?
Yes, CoreyChem provides custom synthesis services for Dibenzo(a,i)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.