TL;DR: KT 6006 (CAS 118736-03-1) is a chemical compound with molecular formula C27H21N3O7 and molecular weight 499.13794 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (15S,16S,18R)-10,23-dihydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8(13),9,11,20(25),21,23,26-nonaene-16-carboperoxoate
Also Known As: KT 6006, 9,12-Epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocine-10-carboxylic acid, 2,3,9,10,11,12-hexahydro-5,10,16-trihydroxy-9-methyl-1-oxo-, methyl ester, (9S-(9alpha,10alpha,12alpha))-, Methyl (15S,16S,18R)-10,23-dihydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8(13),9,11,20(25),21,23,26-nonaene-16-carboperoxoate, Methyl (5R,7S,8S)-2,11,15-trihydroxy-8-methyl-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacene-7-carboperoxoate, Methyl 2,11,15-trihydroxy-8-methyl-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacene-7-carboperoxoate
| Molecular Formula | C27H21N3O7 |
| Molecular Weight | 499.13794 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 499.13794 Da |
| Heavy Atoms | 37 |
| Complexity | 1010.0 |
| SMILES | C[C@@]12[C@H](C[C@@H](O1)N3C4=C(C=C(C=C4)O)C5=C6C(=C7C8=C(N2C7=C53)C=CC(=C8)O)CNC6=O)C(=O)OOC |
| InChIKey | JKEBWJSRGQOXNU-TUZCJGOLSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KT 6006. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KT 6006. Following Lipinski's Rule of Five, KT 6006 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of KT 6006 is 118736-03-1.
The molecular formula of KT 6006 is C27H21N3O7.
The molecular weight of KT 6006 is 499.13794 g/mol.
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