1-Methylbenz(a)anthracene 5,6-imine
TL;DR: 1-Methylbenz(a)anthracene 5,6-imine (CAS 159714-84-8) is a chemical compound with molecular formula C19H13N and molecular weight 255.1048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-methyl-3-azapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),2(4),5,7,9,11,13,15,17-nonaene
Also Known As: 1-Methylbenz(a)anthracene 5,6-imine, 5-Methyl-1H-tetrapheno[5,6-b]azirine, 1-METHYLBENZ[A]ANTHRACENE 5,6-IMINE, 1a,11b-Dihydro-5-methyl-1H-benz[a]anthra[5,6-b]azirine, 1H-Benz[a]anthra[5,6-b]azirine, 1a,11b-dihydro-5-methyl-
Technical Specifications
| Molecular Formula | C19H13N |
| Molecular Weight | 255.1048 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 21.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 255.1048 Da |
| Heavy Atoms | 20 |
| Complexity | 391.0 |
| SMILES | CC1=C2C(=CC=C1)C3=C(N3)C4=CC5=CC=CC=C5C=C42 |
| InChIKey | WPFSJCUQVRQHMM-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methylbenz(a)anthracene 5,6-imine
Property Insights of 1-Methylbenz(a)anthracene 5,6-imine
The XLogP value of 4.7 indicates that 1-Methylbenz(a)anthracene 5,6-imine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.9 Ų, 1-Methylbenz(a)anthracene 5,6-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylbenz(a)anthracene 5,6-imine has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Methylbenz(a)anthracene 5,6-imine?
The CAS number of 1-Methylbenz(a)anthracene 5,6-imine is 159714-84-8.
What is the molecular formula of 1-Methylbenz(a)anthracene 5,6-imine?
The molecular formula of 1-Methylbenz(a)anthracene 5,6-imine is C19H13N.
What is the molecular weight of 1-Methylbenz(a)anthracene 5,6-imine?
The molecular weight of 1-Methylbenz(a)anthracene 5,6-imine is 255.1048 g/mol.
Where can I buy 1-Methylbenz(a)anthracene 5,6-imine?
You can request a quote for 1-Methylbenz(a)anthracene 5,6-imine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methylbenz(a)anthracene 5,6-imine?
Yes, CoreyChem provides custom synthesis services for 1-Methylbenz(a)anthracene 5,6-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.