Cucurbitacin S
TL;DR: Cucurbitacin S (CAS 60137-06-6) is a chemical compound with molecular formula C30H42O6 and molecular weight 498.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,4R,6S,9S,10R,11R,14R,15R)-17-hydroxy-6-(2-hydroxypropan-2-yl)-2,9,11,14,19,19-hexamethyl-5-oxapentacyclo[12.8.0.02,11.04,10.015,20]docosa-16,20-diene-8,13,18-trione
Also Known As: Cucurbitacin S, Cucurbitacins, Curcurbitacin IIa, Cucurbitacin A, Curcurbitacin-IIa
| Molecular Formula | C30H42O6 |
|---|---|
| Molecular Weight | 498.30 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 498.29813 |
| Heavy Atoms | 36 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 60137-06-6 |
|---|---|
| SMILES | C[C@H]1[C@H]2[C@@H](C[C@@]3([C@@]2(CC(=O)[C@@]4([C@H]3CC=C5[C@H]4C=C(C(=O)C5(C)C)O)C)C)C)O[C@@H](CC1=O)C(C)(C)O |
| InChIKey | MBYLRWSUZLFUTO-PQNVQGKDSA-N |
Product Overview
Cucurbitacin S (CAS 60137-06-6), with molecular formula C30H42O6 and molecular weight 498.30 g/mol. IUPAC: (1S,2S,4R,6S,9S,10R,11R,14R,15R)-17-hydroxy-6-(2-hydroxypropan-2-yl)-2,9,11,14,19,19-hexamethyl-5-oxapentacyclo[12.8.0.02,11.04,10.015,20]docosa-16,20-diene-8,13,18-trione.
Chemical Property Profile of Cucurbitacin S
Property Insights of Cucurbitacin S
The XLogP value of 3.2 indicates that Cucurbitacin S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cucurbitacin S. Following Lipinski's Rule of Five, Cucurbitacin S has 2 hydrogen bond donor(s) and 6 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 Cucurbitacin S?
The CAS number of Cucurbitacin S is 60137-06-6.
What is the molecular formula of Cucurbitacin S?
The molecular formula of Cucurbitacin S is C30H42O6.
What is the molecular weight of Cucurbitacin S?
The molecular weight of Cucurbitacin S is 498.30 g/mol.
Where can I buy Cucurbitacin S?
You can request a quote for Cucurbitacin S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cucurbitacin S?
Yes, KEHONG BIO provides custom synthesis services for Cucurbitacin S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.