Cucurbitacin I
TL;DR: Cucurbitacin I (CAS 2222-07-3) is a chemical compound with molecular formula C30H42O7 and molecular weight 514.293 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
17-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
Also Known As: Cucurbitacin I, NCI60_000266, NCI60_004269, 17-(1,5-dihydroxy-1,5-dimethyl-2-oxo-3-hexenyl)-2,16-dihydroxy-4,4,9,14-tetramethylestra-1,5-diene-3,11-dione, 17-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
Technical Specifications
| Molecular Formula | C30H42O7 |
| Molecular Weight | 514.293 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 514.293 Da |
| Heavy Atoms | 37 |
| Complexity | 1160.0 |
| SMILES | CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2C=C(C1=O)O)C)C)C(C)(C(=O)C=CC(C)(C)O)O)O)C)C |
| InChIKey | NISPVUDLMHQFRQ-UHFFFAOYSA-N |
Product Description
Applications: Cucurbitacin I is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Cucurbitacin I (CAS 2222-07-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Cucurbitacin I (CAS 2222-07-3) is a fine chemical with the molecular formula C30H42O7 and a molecular weight of 514.29 g/mol. It is also known as Cucurbitacin I and Neuro_000053.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Cucurbitacin I
Property Insights of Cucurbitacin I
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cucurbitacin I. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cucurbitacin I. Following Lipinski's Rule of Five, Cucurbitacin I has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Cucurbitacin I?
The CAS number of Cucurbitacin I is 2222-07-3.
What is the molecular formula of Cucurbitacin I?
The molecular formula of Cucurbitacin I is C30H42O7.
What is the molecular weight of Cucurbitacin I?
The molecular weight of Cucurbitacin I is 514.293 g/mol.
What are the applications of Cucurbitacin I?
Cucurbitacin I is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Cucurbitacin I (CAS 2222-07-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and...
Where can I buy Cucurbitacin I?
You can request a quote for Cucurbitacin I directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cucurbitacin I?
Yes, CoreyChem provides custom synthesis services for Cucurbitacin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.