5-Methylbenzo(a)pyrene
TL;DR: 5-Methylbenzo(a)pyrene (CAS 31647-36-6) is a chemical compound with molecular formula C21H14 and molecular weight 266.10956 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methylbenzo[a]pyrene
Also Known As: 5-Methylbenzo(a)pyrene, 5-Methyl-BP, 5-methylbenzo[a]pyrene, BENZO(a)PYRENE, 5-METHYL-, Benzo[a]pyrene, 5-methyl-
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H14 |
| Molecular Weight | 266.10956 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 266.10956 Da |
| Heavy Atoms | 21 |
| Complexity | 399.0 |
| SMILES | CC1=CC2=CC=CC3=C2C4=C(C=C3)C5=CC=CC=C5C=C14 |
| InChIKey | JQANOYBJRYYFQI-UHFFFAOYSA-N |
Chemical Property Profile of 5-Methylbenzo(a)pyrene
Property Insights of 5-Methylbenzo(a)pyrene
The XLogP value of 6.4 indicates that 5-Methylbenzo(a)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, 5-Methylbenzo(a)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methylbenzo(a)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 5-Methylbenzo(a)pyrene?
The CAS number of 5-Methylbenzo(a)pyrene is 31647-36-6.
What is the molecular formula of 5-Methylbenzo(a)pyrene?
The molecular formula of 5-Methylbenzo(a)pyrene is C21H14.
What is the molecular weight of 5-Methylbenzo(a)pyrene?
The molecular weight of 5-Methylbenzo(a)pyrene is 266.10956 g/mol.
Where can I buy 5-Methylbenzo(a)pyrene?
You can request a quote for 5-Methylbenzo(a)pyrene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Methylbenzo(a)pyrene?
Yes, CoreyChem provides custom synthesis services for 5-Methylbenzo(a)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.