Cucurbitacin A
TL;DR: Cucurbitacin A (CAS 6040-19-3) is a chemical compound with molecular formula C32H46O9 and molecular weight 574.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
Also Known As: Cucurbitacin A, NCI60_042109, [(6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
| Molecular Formula | C32H46O9 |
|---|---|
| Molecular Weight | 574.31 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 574.3142 |
| Heavy Atoms | 41 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 6040-19-3 |
|---|---|
| SMILES | CC(=O)OC(C)(C)C=CC(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)CO)C)C)O)O |
| InChIKey | IHTCCHVMPGDDSL-NRNCYQGDSA-N |
Product Overview
Cucurbitacin A (CAS 6040-19-3), with molecular formula C32H46O9 and molecular weight 574.31 g/mol. IUPAC: [(6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate.
Chemical Property Profile of Cucurbitacin A
Property Insights of Cucurbitacin A
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cucurbitacin A. The TPSA of 158.0 Ų indicates high polarity, suggesting Cucurbitacin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cucurbitacin A has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cucurbitacin A?
The CAS number of Cucurbitacin A is 6040-19-3.
What is the molecular formula of Cucurbitacin A?
The molecular formula of Cucurbitacin A is C32H46O9.
What is the molecular weight of Cucurbitacin A?
The molecular weight of Cucurbitacin A is 574.31 g/mol.
Where can I buy Cucurbitacin A?
You can request a quote for Cucurbitacin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cucurbitacin A?
Yes, KEHONG BIO provides custom synthesis services for Cucurbitacin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.