Dihydrobruceantin
TL;DR: Dihydrobruceantin (CAS 41328-90-9) is a chemical compound with molecular formula C28H38O11 and molecular weight 550.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3,4-dimethylpentanoyloxy)-10,15,16-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: DIHYDROBRUCEANTIN, Methyl 15-[(3,4-dimethylpentanoyl)oxy]-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate
| Molecular Formula | C28H38O11 |
|---|---|
| Molecular Weight | 550.24 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 550.2414 |
| Heavy Atoms | 39 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 41328-90-9 |
|---|---|
| SMILES | CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)CC(C)C(C)C)(OC5)C(=O)OC)O)O)C)O |
| InChIKey | NDAUQCCKCKVGJF-UHFFFAOYSA-N |
Product Overview
Dihydrobruceantin (CAS 41328-90-9), with molecular formula C28H38O11 and molecular weight 550.24 g/mol. IUPAC: methyl 3-(3,4-dimethylpentanoyloxy)-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate.
Chemical Property Profile of Dihydrobruceantin
Property Insights of Dihydrobruceantin
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dihydrobruceantin. The TPSA of 166.0 Ų indicates high polarity, suggesting Dihydrobruceantin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dihydrobruceantin has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dihydrobruceantin?
The CAS number of Dihydrobruceantin is 41328-90-9.
What is the molecular formula of Dihydrobruceantin?
The molecular formula of Dihydrobruceantin is C28H38O11.
What is the molecular weight of Dihydrobruceantin?
The molecular weight of Dihydrobruceantin is 550.24 g/mol.
Where can I buy Dihydrobruceantin?
You can request a quote for Dihydrobruceantin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydrobruceantin?
Yes, KEHONG BIO provides custom synthesis services for Dihydrobruceantin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.