Cucurbitacin Q
TL;DR: Cucurbitacin Q (CAS 99530-82-2) is a chemical compound with molecular formula C32H48O8 and molecular weight 560.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-6-hydroxy-2-methyl-5-oxo-6-(2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)hept-3-en-2-yl] acetate
Also Known As: Cucurbitacin Q, [(E)-5-hydroxy-1,1-dimethyl-4-oxo-5-(2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)hex-2-enyl] acetate, (2E)-5-Hydroxy-1,1-dimethyl-4-oxo-5-(2,3,16-trihydroxy-4,4,9,14-tetramethyl-11-oxoestr-5-en-17-yl)hex-2-en-1-yl acetate, [(E)-6-hydroxy-2-methyl-5-oxo-6-(2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)hept-3-en-2-yl] acetate, 19-Norlanosta-5,23-diene-11,22-dione,25-(acetyloxy)-2,3,16,20-tetrahydroxy-9-methyl-,(2b,3a,9b,10a,16a,23E)-
| Molecular Formula | C32H48O8 |
|---|---|
| Molecular Weight | 560.33 g/mol |
| LogP | 3.2911 |
| Topological Polar Surface Area | 141.36 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 560.3349 |
| Heavy Atoms | 40 |
| Complexity | 1163.4106 |
Chemical Identifiers
| CAS Number | 99530-82-2 |
|---|---|
| SMILES | CC(=O)OC(C)(C)/C=C/C(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(C4(C)C)O)O)C)C)C)O)O |
Product Overview
Cucurbitacin Q (CAS 99530-82-2), with molecular formula C32H48O8 and molecular weight 560.33 g/mol. IUPAC: [(E)-6-hydroxy-2-methyl-5-oxo-6-(2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)hept-3-en-2-yl] acetate.
Chemical Property Profile of Cucurbitacin Q
Property Insights of Cucurbitacin Q
The XLogP value of 3.2911 indicates that Cucurbitacin Q is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.36 Ų indicates high polarity, suggesting Cucurbitacin Q may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cucurbitacin Q has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cucurbitacin Q?
The CAS number of Cucurbitacin Q is 99530-82-2.
What is the molecular formula of Cucurbitacin Q?
The molecular formula of Cucurbitacin Q is C32H48O8.
What is the molecular weight of Cucurbitacin Q?
The molecular weight of Cucurbitacin Q is 560.33 g/mol.
Where can I buy Cucurbitacin Q?
You can request a quote for Cucurbitacin Q directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cucurbitacin Q?
Yes, KEHONG BIO provides custom synthesis services for Cucurbitacin Q and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.