TL;DR: RK 1441A (CAS 132035-29-1) is a chemical compound with molecular formula C14H18N2O5 and molecular weight 294.12158 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6S,6aS,9S)-3,6-dihydroxy-2,9-dimethoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Also Known As: RK-1441A, RK 1441A, (6S,6aS,9S)-3,6-dihydroxy-2,9-dimethoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one, (3S,11S,11aS)-8,11-dihydroxy-3,7-dimethoxy-1,2,3,10,11,11a-hexahydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one, 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-8,11-dihydroxy-3,7-dimethoxy-, (3S-(3alpha,11beta,11abeta))-
| Molecular Formula | C14H18N2O5 |
| Molecular Weight | 294.12158 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 91.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.12158 Da |
| Heavy Atoms | 21 |
| Complexity | 407.0 |
| SMILES | CO[C@H]1CC[C@@H]2N1C(=O)C3=CC(=C(C=C3N[C@H]2O)O)OC |
| InChIKey | XKTHCVPMSHHKSI-XDTLVQLUSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RK 1441A. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RK 1441A. Following Lipinski's Rule of Five, RK 1441A has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RK 1441A is 132035-29-1.
The molecular formula of RK 1441A is C14H18N2O5.
The molecular weight of RK 1441A is 294.12158 g/mol.
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