TL;DR: (+-)-trans-1,2-Dihydroxy-1,2-dihydrodibenz(a,j)acridine (CAS 122088-20-4) is a chemical compound with molecular formula C21H15NO2 and molecular weight 313.1103 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5S,6S)-13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),7,10,13,15,17,19,21-decaene-5,6-diol
Also Known As: (+-)-trans-1,2-Dihydroxy-1,2-dihydrodibenz(a,j)acridine, 1,2-dihydrodibenzo[a,j]acridine-1,2-diol, trans-Dibenz(a,j)acridine-1,2-dihydrodiol, trans-1,2-Dihydro-dibenz(a,j)acridine 1,2-diol, Trans-1,2-dihydrodibenzo[a,j]acridine-1,2-diol
| Molecular Formula | C21H15NO2 |
| Molecular Weight | 313.1103 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 53.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 313.1103 Da |
| Heavy Atoms | 24 |
| Complexity | 506.0 |
| SMILES | C1=CC=C2C(=C1)C=CC3=NC4=C(C=C32)C5=C(C=C[C@@H]([C@H]5O)O)C=C4 |
| InChIKey | RRNUOFSFFDAAFY-PZJWPPBQSA-N |
The XLogP value of 3.6 indicates that (+-)-trans-1,2-Dihydroxy-1,2-dihydrodibenz(a,j)acridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.4 Ų, (+-)-trans-1,2-Dihydroxy-1,2-dihydrodibenz(a,j)acridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+-)-trans-1,2-Dihydroxy-1,2-dihydrodibenz(a,j)acridine has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (+-)-trans-1,2-Dihydroxy-1,2-dihydrodibenz(a,j)acridine is 122088-20-4.
The molecular formula of (+-)-trans-1,2-Dihydroxy-1,2-dihydrodibenz(a,j)acridine is C21H15NO2.
The molecular weight of (+-)-trans-1,2-Dihydroxy-1,2-dihydrodibenz(a,j)acridine is 313.1103 g/mol.
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