Benzo(a)pyrene, 3,11-dimethyl-
TL;DR: Benzo(a)pyrene, 3,11-dimethyl- (CAS 117249-21-5) is a chemical compound with molecular formula C22H16 and molecular weight 280.1252 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,11-dimethylbenzo[a]pyrene
Also Known As: 3,11-dimethylbenzo[a]pyrene, 3,11-Dimethylbenzo(a)pyrene, Benzo(a)pyrene, 3,11-dimethyl-, benzo[a]pyrene, 3,11-dimethyl-, 3,11-dimethylbenzo[pqr]tetraphene
Technical Specifications
| Molecular Formula | C22H16 |
| Molecular Weight | 280.1252 g/mol |
| XLogP | 7.0 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 280.1252 Da |
| Heavy Atoms | 22 |
| Complexity | 426.0 |
| SMILES | CC1=C2C=CC3=CC4=CC=CC=C4C5=C3C2=C(C=C1)C=C5C |
| InChIKey | CHXZNQZXIYQBPZ-UHFFFAOYSA-N |
Chemical Property Profile of Benzo(a)pyrene, 3,11-dimethyl-
Property Insights of Benzo(a)pyrene, 3,11-dimethyl-
The XLogP value of 7.0 indicates that Benzo(a)pyrene, 3,11-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzo(a)pyrene, 3,11-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyrene, 3,11-dimethyl- 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 Benzo(a)pyrene, 3,11-dimethyl-?
The CAS number of Benzo(a)pyrene, 3,11-dimethyl- is 117249-21-5.
What is the molecular formula of Benzo(a)pyrene, 3,11-dimethyl-?
The molecular formula of Benzo(a)pyrene, 3,11-dimethyl- is C22H16.
What is the molecular weight of Benzo(a)pyrene, 3,11-dimethyl-?
The molecular weight of Benzo(a)pyrene, 3,11-dimethyl- is 280.1252 g/mol.
Where can I buy Benzo(a)pyrene, 3,11-dimethyl-?
You can request a quote for Benzo(a)pyrene, 3,11-dimethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzo(a)pyrene, 3,11-dimethyl-?
Yes, CoreyChem provides custom synthesis services for Benzo(a)pyrene, 3,11-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.