Oxopropaline B
TL;DR: Oxopropaline B (CAS 152752-58-4) is a chemical compound with molecular formula C21H24N2O7 and molecular weight 416.15836 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxy-1-(4-methyl-9H-pyrido[3,4-b]indol-1-yl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxypropan-1-one
Also Known As: Oxopropaline B, 2-hydroxy-1-(4-methyl-9H-pyrido[3,4-b]indol-1-yl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxypropan-1-one, 2-Hydroxy-3-(4-methyl-9H-pyrido[3,4-b]indol-1-yl)-3-oxopropyl 6-deoxyhexopyranoside, 1-Propanone, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-hydroxy-1-(4-methyl-9H-pyrido(3,4-b)indol-1-yl)-
Technical Specifications
| Molecular Formula | C21H24N2O7 |
| Molecular Weight | 416.15836 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.15836 Da |
| Heavy Atoms | 30 |
| Complexity | 622.0 |
| SMILES | CC1C(C(C(C(O1)OCC(C(=O)C2=NC=C(C3=C2NC4=CC=CC=C43)C)O)O)O)O |
| InChIKey | ZNCHNBXDOIQLBI-UHFFFAOYSA-N |
Chemical Property Profile of Oxopropaline B
Property Insights of Oxopropaline B
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxopropaline B. The TPSA of 145.0 Ų indicates high polarity, suggesting Oxopropaline B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxopropaline B has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Oxopropaline B?
The CAS number of Oxopropaline B is 152752-58-4.
What is the molecular formula of Oxopropaline B?
The molecular formula of Oxopropaline B is C21H24N2O7.
What is the molecular weight of Oxopropaline B?
The molecular weight of Oxopropaline B is 416.15836 g/mol.
Where can I buy Oxopropaline B?
You can request a quote for Oxopropaline B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Oxopropaline B?
Yes, CoreyChem provides custom synthesis services for Oxopropaline B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.