Isobrucein B
TL;DR: Isobrucein B (CAS 53663-03-9) is a chemical compound with molecular formula C23H28O11 and molecular weight 480.16315 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-acetyloxy-12,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
Also Known As: Isobrucein B, ISOBRUCEINE B, methyl 15-(acetyloxy)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate, methyl (1R,2S,3R,6R,8S,12S,13S,14R,15R,16S,17S)-3-acetyloxy-12,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
Technical Specifications
| Molecular Formula | C23H28O11 |
| Molecular Weight | 480.16315 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 166.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.16315 Da |
| Heavy Atoms | 34 |
| Complexity | 1020.0 |
| SMILES | CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C)(OC5)C(=O)OC)O)O)C)O |
| InChIKey | WAYNIXHIORQRDI-UHFFFAOYSA-N |
Product Description
Applications: Isobrucein B is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isobrucein B (CAS 53663-03-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Isobrucein B (CAS 53663-03-9) is a fine chemical with the molecular formula C23H28O11 and a molecular weight of 480.16 g/mol. It is also known as Isobrucein B and ISOBRUCEINE B.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Isobrucein B
Property Insights of Isobrucein B
The XLogP value of -1.0 indicates that Isobrucein B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.0 Ų indicates high polarity, suggesting Isobrucein B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isobrucein B has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Isobrucein B?
The CAS number of Isobrucein B is 53663-03-9.
What is the molecular formula of Isobrucein B?
The molecular formula of Isobrucein B is C23H28O11.
What is the molecular weight of Isobrucein B?
The molecular weight of Isobrucein B is 480.16315 g/mol.
What are the applications of Isobrucein B?
Isobrucein B is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isobrucein B (CAS 53663-03-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and...
Where can I buy Isobrucein B?
You can request a quote for Isobrucein B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobrucein B?
Yes, CoreyChem provides custom synthesis services for Isobrucein B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.