11-Chloromethylbenzo(a)pyrene
TL;DR: 11-Chloromethylbenzo(a)pyrene (CAS 94500-54-6) is a chemical compound with molecular formula C21H13Cl and molecular weight 300.0706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11-(chloromethyl)benzo[a]pyrene
Also Known As: 11-Chloromethylbenzo(a)pyrene, 11-chloromethylbenzo pyrene, 11-(chloromethyl)benzo[a]pyrene, 11-CHLOROMETHYLBENZO[A]PYRENE, 11-(chloromethyl)benzo[pqr]tetraphene
Technical Specifications
| Molecular Formula | C21H13Cl |
| Molecular Weight | 300.0706 g/mol |
| XLogP | 6.7 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 300.0706 Da |
| Heavy Atoms | 22 |
| Complexity | 418.0 |
| SMILES | C1=CC=C2C(=C1)C=C3C=CC4=C5C3=C2C(=CC5=CC=C4)CCl |
| InChIKey | YNFWZKLFAYROMP-UHFFFAOYSA-N |
Chemical Property Profile of 11-Chloromethylbenzo(a)pyrene
Property Insights of 11-Chloromethylbenzo(a)pyrene
The XLogP value of 6.7 indicates that 11-Chloromethylbenzo(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, 11-Chloromethylbenzo(a)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11-Chloromethylbenzo(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 11-Chloromethylbenzo(a)pyrene?
The CAS number of 11-Chloromethylbenzo(a)pyrene is 94500-54-6.
What is the molecular formula of 11-Chloromethylbenzo(a)pyrene?
The molecular formula of 11-Chloromethylbenzo(a)pyrene is C21H13Cl.
What is the molecular weight of 11-Chloromethylbenzo(a)pyrene?
The molecular weight of 11-Chloromethylbenzo(a)pyrene is 300.0706 g/mol.
Where can I buy 11-Chloromethylbenzo(a)pyrene?
You can request a quote for 11-Chloromethylbenzo(a)pyrene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 11-Chloromethylbenzo(a)pyrene?
Yes, CoreyChem provides custom synthesis services for 11-Chloromethylbenzo(a)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.