Glaucarubinone
TL;DR: Glaucarubinone (CAS 1259-86-5) is a chemical compound with molecular formula C25H34O10 and molecular weight 494.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl) 2-hydroxy-2-methylbutanoate
Also Known As: Glaucarubinone, (trihydroxy-trimethyl-dioxo-[?]yl) 2-hydroxy-2-methyl-butanoate, Butyric acid, 2-hydroxy-2-methyl-, 4-ester with 1,3a.beta.,4,7,7a.alpha.,11,11a,11b.alpha.-octahydro-1.alpha.,2.alpha.,4.beta., 11.beta.-tetrahydroxy-3.alpha.,8,11a.beta.-trimethyl-2H-1, {11c.beta.-(epoxymethano)phenanthro[10,1-bc]pyran-5,10(3H,} 6a.beta.H)-dione, Butyric acid, 2-hydroxy-2-methyl-, 4-ester with 1,3a.beta.,4,7,7a.alpha.,11,11a,11b.alpha.-octahydro-1.alpha.,2.alpha.,4.beta.,11.beta.-tetrahydroxy-3.alpha.,8,11a.beta.-trimethyl-2H-1,11c.beta.-(epoxymethano)phenanthro[10,1-bc]pyran-5,10(3H,6a.beta.H)-dione, Butyric acid, 2-hydroxy-2-methyl-, 4-ester with 1,3ab,4,7,7aa,11,11a,11ba-octahydro-1a,2a,4b, 11b-tetrahydroxy-3a,8,11ab-trimethyl-2H-1, {11cb-(epoxymethano)phenanthro[10,1-bc]pyran-5,10(3H,6abH)-dione}
| Molecular Formula | C25H34O10 |
|---|---|
| Molecular Weight | 494.22 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 494.2152 |
| Heavy Atoms | 35 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 1259-86-5 |
|---|---|
| SMILES | CCC(C)(C(=O)OC1C2C(C(C3(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O)C)O |
| InChIKey | WRBGCYVAJRRQKP-UHFFFAOYSA-N |
Product Overview
Glaucarubinone (CAS 1259-86-5), with molecular formula C25H34O10 and molecular weight 494.22 g/mol. IUPAC: (4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl) 2-hydroxy-2-methylbutanoate.
Chemical Property Profile of Glaucarubinone
Property Insights of Glaucarubinone
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Glaucarubinone. The TPSA of 160.0 Ų indicates high polarity, suggesting Glaucarubinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glaucarubinone has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Glaucarubinone?
The CAS number of Glaucarubinone is 1259-86-5.
What is the molecular formula of Glaucarubinone?
The molecular formula of Glaucarubinone is C25H34O10.
What is the molecular weight of Glaucarubinone?
The molecular weight of Glaucarubinone is 494.22 g/mol.
Where can I buy Glaucarubinone?
You can request a quote for Glaucarubinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glaucarubinone?
Yes, KEHONG BIO provides custom synthesis services for Glaucarubinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.