3-Methoxy-12-methylbenzo(a)anthracene
TL;DR: 3-Methoxy-12-methylbenzo(a)anthracene (CAS 111238-08-5) is a chemical compound with molecular formula C20H16O and molecular weight 272.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methoxy-12-methylbenzo[a]anthracene
Also Known As: 3-Methoxy-12-methylbenzo(a)anthracene, 3-methoxy-12-methyltetraphene, 3-methoxy-12-methylbenzo[a]anthracene, Benzo(a)anthracene, 3-methoxy-12-methyl-, Benz[a]anthracene, 3-methoxy-12-methyl-
Technical Specifications
| Molecular Formula | C20H16O |
| Molecular Weight | 272.12012 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.12012 Da |
| Heavy Atoms | 21 |
| Complexity | 365.0 |
| SMILES | CC1=C2C(=CC3=CC=CC=C13)C=CC4=C2C=CC(=C4)OC |
| InChIKey | JVIZUJYXUWQROK-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methoxy-12-methylbenzo(a)anthracene
Property Insights of 3-Methoxy-12-methylbenzo(a)anthracene
The XLogP value of 6.3 indicates that 3-Methoxy-12-methylbenzo(a)anthracene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 3-Methoxy-12-methylbenzo(a)anthracene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxy-12-methylbenzo(a)anthracene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-Methoxy-12-methylbenzo(a)anthracene?
The CAS number of 3-Methoxy-12-methylbenzo(a)anthracene is 111238-08-5.
What is the molecular formula of 3-Methoxy-12-methylbenzo(a)anthracene?
The molecular formula of 3-Methoxy-12-methylbenzo(a)anthracene is C20H16O.
What is the molecular weight of 3-Methoxy-12-methylbenzo(a)anthracene?
The molecular weight of 3-Methoxy-12-methylbenzo(a)anthracene is 272.12012 g/mol.
Where can I buy 3-Methoxy-12-methylbenzo(a)anthracene?
You can request a quote for 3-Methoxy-12-methylbenzo(a)anthracene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methoxy-12-methylbenzo(a)anthracene?
Yes, CoreyChem provides custom synthesis services for 3-Methoxy-12-methylbenzo(a)anthracene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.