Glaucarubine-2'-acetate
TL;DR: Glaucarubine-2'-acetate (CAS 68703-93-5) is a chemical compound with molecular formula C27H38O11 and molecular weight 538.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,5,16,17-tetrahydroxy-6,14,18-trimethyl-9-oxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl) 2-acetyloxy-2-methylbutanoate
Also Known As: Glaucarubine-2'-acetate, GLAUCARUBINE, 2'-ACETYL, 1,2,11,12-Tetrahydroxy-16-oxo-11,20-epoxypicras-3-en-15-yl 2-(acetyloxy)-2-methylbutanoate
| Molecular Formula | C27H38O11 |
|---|---|
| Molecular Weight | 538.24 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 538.2414 |
| Heavy Atoms | 38 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 68703-93-5 |
|---|---|
| SMILES | CCC(C)(C(=O)OC1C2C(C(C3(C4C2(CO3)C(CC5C4(C(C(C=C5C)O)O)C)OC1=O)O)O)C)OC(=O)C |
| InChIKey | DOBUSWRCXDWEOI-UHFFFAOYSA-N |
Product Overview
Glaucarubine-2'-acetate (CAS 68703-93-5), with molecular formula C27H38O11 and molecular weight 538.24 g/mol. IUPAC: (4,5,16,17-tetrahydroxy-6,14,18-trimethyl-9-oxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl) 2-acetyloxy-2-methylbutanoate.
Chemical Property Profile of Glaucarubine-2'-acetate
Property Insights of Glaucarubine-2'-acetate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Glaucarubine-2'-acetate. The TPSA of 169.0 Ų indicates high polarity, suggesting Glaucarubine-2'-acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glaucarubine-2'-acetate has 4 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 Glaucarubine-2'-acetate?
The CAS number of Glaucarubine-2'-acetate is 68703-93-5.
What is the molecular formula of Glaucarubine-2'-acetate?
The molecular formula of Glaucarubine-2'-acetate is C27H38O11.
What is the molecular weight of Glaucarubine-2'-acetate?
The molecular weight of Glaucarubine-2'-acetate is 538.24 g/mol.
Where can I buy Glaucarubine-2'-acetate?
You can request a quote for Glaucarubine-2'-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glaucarubine-2'-acetate?
Yes, KEHONG BIO provides custom synthesis services for Glaucarubine-2'-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.