TL;DR: Dibenz(a,j)acridine-1,2,3,4-tetrol, 1,2,3,4-tetrahydro-, (1alpha,2beta,3beta,4alpha)- (CAS 124508-34-5) is a chemical compound with molecular formula C21H17NO4 and molecular weight 347.11575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5R,6S,7R,8S)-13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),10,13,15,17,19,21-nonaene-5,6,7,8-tetrol
Also Known As: Dibenz(a,j)acridine-1,2,3,4-tetrol, 1,2,3,4-tetrahydro-, (1alpha,2beta,3beta,4alpha)-, (1R,2S,3R,4S)-1,2,3,4-Tetrahydrodibenzo[a,j]acridine-1,2,3,4-tetrol
| Molecular Formula | C21H17NO4 |
| Molecular Weight | 347.11575 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 93.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 347.11575 Da |
| Heavy Atoms | 26 |
| Complexity | 530.0 |
| SMILES | C1=CC=C2C(=C1)C=CC3=NC4=C(C=C32)C5=C(C=C4)[C@@H]([C@H]([C@H]([C@@H]5O)O)O)O |
| InChIKey | BMERHVPSJOYBEQ-BQJUDKOJSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibenz(a,j)acridine-1,2,3,4-tetrol, 1,2,3,4-tetrahydro-, (1alpha,2beta,3beta,4alpha)-. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenz(a,j)acridine-1,2,3,4-tetrol, 1,2,3,4-tetrahydro-, (1alpha,2beta,3beta,4alpha)-. Following Lipinski's Rule of Five, Dibenz(a,j)acridine-1,2,3,4-tetrol, 1,2,3,4-tetrahydro-, (1alpha,2beta,3beta,4alpha)- has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Dibenz(a,j)acridine-1,2,3,4-tetrol, 1,2,3,4-tetrahydro-, (1alpha,2beta,3beta,4alpha)- is 124508-34-5.
The molecular formula of Dibenz(a,j)acridine-1,2,3,4-tetrol, 1,2,3,4-tetrahydro-, (1alpha,2beta,3beta,4alpha)- is C21H17NO4.
The molecular weight of Dibenz(a,j)acridine-1,2,3,4-tetrol, 1,2,3,4-tetrahydro-, (1alpha,2beta,3beta,4alpha)- is 347.11575 g/mol.
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