TL;DR: Ccris 6982 (CAS 140461-57-0) is a chemical compound with molecular formula C21H15NO3 and molecular weight 329.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(16R,18S,19S,20R)-17-oxa-13-azahexacyclo[12.9.0.03,12.04,9.015,21.016,18]tricosa-1,3(12),4,6,8,10,13,15(21),22-nonaene-19,20-diol
Also Known As: (+)-11R,10S-Dihydroxy-9S,8R-epoxy-8,9,10,11-tetrahydrodibenz(a,h)acridine, 11S,10R-Dihydroxy-9S,8R-epoxide-8,9,10,11-tetrahydrobenz(a,h)acridine, Benz(a)oxireno(5,6)benz(1,2-h)acridine-2,3-diol, 1a,2,3,13c-tetrahydro-, (1a-alpha,2-beta,3-alpha,13c-alpha)-(+)-, (1aalpha,2beta,3alpha,13Calpha)-(+)-1a,2,3,13c-tetrahydrobenz(a)oxireno(5,6)benz(1,2-h)acridine-2,3-diol, [8R,(+)]-8beta,9beta-Epoxy-8,9,10,11-tetrahydrodibenz[a,h]acridine-10beta,11alpha-diol
| Molecular Formula | C21H15NO3 |
| Molecular Weight | 329.1052 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 65.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 329.1052 Da |
| Heavy Atoms | 25 |
| Complexity | 541.0 |
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C=C4C=CC5=C(C4=N3)[C@@H]6[C@@H](O6)[C@H]([C@@H]5O)O |
| InChIKey | YDXYXYWIDOQJHT-MHTWAQMVSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ccris 6982. The TPSA of 65.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ccris 6982. Following Lipinski's Rule of Five, Ccris 6982 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 Ccris 6982 is 140461-57-0.
The molecular formula of Ccris 6982 is C21H15NO3.
The molecular weight of Ccris 6982 is 329.1052 g/mol.
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