TL;DR: BENZ(a)ANTHRACENE, 7-CYANO-12-METHYL- (CAS 63020-25-7) is a chemical compound with molecular formula C20H13N and molecular weight 267.1048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
12-methylbenzo[a]anthracene-7-carbonitrile
Also Known As: 7-Cyano-12-methylbenz(a)anthracene, 12-methyltetraphene-7-carbonitrile, 9-Methyl-10-cyano-1,2-benzanthracene, BENZ(a)ANTHRACENE, 7-CYANO-12-METHYL-, 12-Methylbenz(a)anthracene-7-carbonitrile
| Molecular Formula | C20H13N |
| Molecular Weight | 267.1048 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 267.1048 Da |
| Heavy Atoms | 21 |
| Complexity | 432.0 |
| SMILES | CC1=C2C(=C(C3=CC=CC=C13)C#N)C=CC4=CC=CC=C42 |
| InChIKey | GMZDCSKUCXWPPZ-UHFFFAOYSA-N |
The XLogP value of 5.8 indicates that BENZ(a)ANTHRACENE, 7-CYANO-12-METHYL- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, BENZ(a)ANTHRACENE, 7-CYANO-12-METHYL- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BENZ(a)ANTHRACENE, 7-CYANO-12-METHYL- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of BENZ(a)ANTHRACENE, 7-CYANO-12-METHYL- is 63020-25-7.
The molecular formula of BENZ(a)ANTHRACENE, 7-CYANO-12-METHYL- is C20H13N.
The molecular weight of BENZ(a)ANTHRACENE, 7-CYANO-12-METHYL- is 267.1048 g/mol.
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