TL;DR: Anti-benzo[H]quinoline-7,8-diol-9,10-epoxide (CAS 113163-22-7) is a chemical compound with molecular formula C13H11NO3 and molecular weight 229.0739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
14-oxa-3-azatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2(7),3,5,8-pentaene-11,12-diol
Also Known As: anti-Benzo(h)quinoline-7,8-diol-9,10-epoxide, ANTI-BENZO[H]QUINOLINE-7,8-DIOL-9,10-EPOXIDE, 1a,2,3,9c-Tetrahydro[1]benzoxireno[3,2-h]quinoline-2,3-diol, Oxireno(3,4)benzo(1,2-h)quinoline-2,3-diol, 1a,2,3,9c-tetrahydro-, (1a-alpha,2-beta,3-alpha,9c-alpha)-
| Molecular Formula | C13H11NO3 |
| Molecular Weight | 229.0739 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 65.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 229.0739 Da |
| Heavy Atoms | 17 |
| Complexity | 324.0 |
| SMILES | C1=CC2=C(C3=C(C=C2)C(C(C4C3O4)O)O)N=C1 |
| InChIKey | UGQWYQLYNQTXMZ-UHFFFAOYSA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Anti-benzo[H]quinoline-7,8-diol-9,10-epoxide. The TPSA of 65.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Anti-benzo[H]quinoline-7,8-diol-9,10-epoxide. Following Lipinski's Rule of Five, Anti-benzo[H]quinoline-7,8-diol-9,10-epoxide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Anti-benzo[H]quinoline-7,8-diol-9,10-epoxide is 113163-22-7.
The molecular formula of Anti-benzo[H]quinoline-7,8-diol-9,10-epoxide is C13H11NO3.
The molecular weight of Anti-benzo[H]quinoline-7,8-diol-9,10-epoxide is 229.0739 g/mol.
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