TL;DR: RK 1441B (CAS 132138-94-4) is a chemical compound with molecular formula C13H14N2O5 and molecular weight 278.09027 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,9-dihydroxy-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
Also Known As: RK 1441B, RK-1441B, 3,9-dihydroxy-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione, 1H-Pyrrolo(2,1-c)(1,4)benzodiazepine-5,11(10H,11aH)-dione, 2,3-dihydro-3,8-dihydroxy-7-methoxy-, 3,8-dihydroxy-7-methoxy-1,2,3,11a-tetrahydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-5,11(10H)-dione
| Molecular Formula | C13H14N2O5 |
| Molecular Weight | 278.09027 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 99.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.09027 Da |
| Heavy Atoms | 20 |
| Complexity | 429.0 |
| SMILES | COC1=C(C=C2C(=C1)C(=O)N3C(CCC3O)C(=O)N2)O |
| InChIKey | IAAKMUQTTVYMND-UHFFFAOYSA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RK 1441B. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RK 1441B. Following Lipinski's Rule of Five, RK 1441B has 3 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 RK 1441B is 132138-94-4.
The molecular formula of RK 1441B is C13H14N2O5.
The molecular weight of RK 1441B is 278.09027 g/mol.
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