Dehydrobruceantinol
TL;DR: Dehydrobruceantinol (CAS 99132-99-7) is a chemical compound with molecular formula C30H36O13 and molecular weight 604.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-acetyloxy-3,4-dimethylpent-2-enoyl)oxy-11,15,16-trihydroxy-9,13-dimethyl-4,10-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadeca-8,11-diene-17-carboxylate
Also Known As: Dehydrobruceantinol, B0005-267632
| Molecular Formula | C30H36O13 |
|---|---|
| Molecular Weight | 604.22 g/mol |
| LogP | 0.7589 |
| Topological Polar Surface Area | 192.19 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 604.2156 |
| Heavy Atoms | 43 |
| Complexity | 1420.336 |
Chemical Identifiers
| CAS Number | 99132-99-7 |
|---|---|
| SMILES | CC1=C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)OC(=O)C)(C(C(C5C2(C=C(C1=O)O)C)O)O)C(=O)OC |
Product Overview
Dehydrobruceantinol (CAS 99132-99-7), with molecular formula C30H36O13 and molecular weight 604.22 g/mol. IUPAC: methyl 3-(4-acetyloxy-3,4-dimethylpent-2-enoyl)oxy-11,15,16-trihydroxy-9,13-dimethyl-4,10-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadeca-8,11-diene-17-carboxylate.
Chemical Property Profile of Dehydrobruceantinol
Property Insights of Dehydrobruceantinol
The XLogP value of 0.7589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dehydrobruceantinol. The TPSA of 192.19 Ų indicates high polarity, suggesting Dehydrobruceantinol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dehydrobruceantinol has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dehydrobruceantinol?
The CAS number of Dehydrobruceantinol is 99132-99-7.
What is the molecular formula of Dehydrobruceantinol?
The molecular formula of Dehydrobruceantinol is C30H36O13.
What is the molecular weight of Dehydrobruceantinol?
The molecular weight of Dehydrobruceantinol is 604.22 g/mol.
Where can I buy Dehydrobruceantinol?
You can request a quote for Dehydrobruceantinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydrobruceantinol?
Yes, KEHONG BIO provides custom synthesis services for Dehydrobruceantinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.