TL;DR: Sch 42137 (CAS 142383-44-6) is a chemical compound with molecular formula C29H27NO10 and molecular weight 549.1635 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
24-ethyl-3,7,10,28-tetrahydroxy-14-methoxy-25-methyl-12,18,20-trioxa-25-azaheptacyclo[15.11.1.02,15.04,13.06,11.021,29.022,27]nonacosa-1(28),2(15),3,6(11),13,21(29),22(27),23-octaene-5,26-dione
Also Known As: Sch 42137, 2H-Xantheno(2',3':6,7)(1,3)benzodioxino(4,5-fg)isoquinoline-1,15-dione, 3-ethyl-7a,8,11,12,13,14-hexahydro-11,14,16,17-tetrahydroxy-9-methoxy-2-methyl-, (7aalpha,11beta,14alpha)-, 24-Ethyl-3,7,10,28-tetrahydroxy-14-methoxy-25-methyl-12,18,20-trioxa-25-azaheptacyclo[15.11.1.02,15.04,13.06,11.021,29.022,27]nonacosa-1(28),2(15),3,6(11),13,21(29),22(27),23-octaene-5,26-dione, 3-Ethyl-11,14,16,17-tetrahydroxy-9-methoxy-2-methyl-7a,8,11,12,13,14-hexahydro-2H,6H-xantheno[2',3':6,7][1,3]benzodioxino[4,5-fg]isoquinoline-1,15-dione
| Molecular Formula | C29H27NO10 |
| Molecular Weight | 549.1635 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 549.1635 Da |
| Heavy Atoms | 40 |
| Complexity | 1150.0 |
| SMILES | CCC1=CC2=C(C(=C3C4=C2OCOC4CC5=C3C(=C6C(=C5OC)OC7=C(C6=O)C(CCC7O)O)O)O)C(=O)N1C |
| InChIKey | SLGIZIDCEVQLHR-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sch 42137. The TPSA of 155.0 Ų indicates high polarity, suggesting Sch 42137 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sch 42137 has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Sch 42137 is 142383-44-6.
The molecular formula of Sch 42137 is C29H27NO10.
The molecular weight of Sch 42137 is 549.1635 g/mol.
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