thapsigargicin
TL;DR: thapsigargicin (CAS 67526-94-7) is a chemical compound with molecular formula C32H46O12 and molecular weight 622.29895 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-(2-methylbut-2-enoyloxy)-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] hexanoate
Also Known As: thapsigargicin, [6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-(2-methylbut-2-enoyloxy)-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] hexanoate, [(3S,3Ar,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] hexanoate, [(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]uran-7-yl] hexanoate, 6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-[(2-methylbut-2-enoyl)oxy]-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl hexanoate
Technical Specifications
| Molecular Formula | C32H46O12 |
| Molecular Weight | 622.29895 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 172.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 622.29895 Da |
| Heavy Atoms | 44 |
| Complexity | 1240.0 |
| SMILES | CCCCCC(=O)OC1C2C(=C(C1OC(=O)C(=CC)C)C)C3C(C(CC2(C)OC(=O)C)OC(=O)CCC)(C(C(=O)O3)(C)O)O |
| InChIKey | LXWLOFYIORKNSA-UHFFFAOYSA-N |
Product Description
Applications: thapsigargicin is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies thapsigargicin (CAS 67526-94-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
thapsigargicin is a fine chemical identified by CAS number 67526-94-7 and the molecular formula C32H46O12 and a molecular weight of 622.3 g/mol. It is also known as thapsigargicin and [6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-(2-methylbut-2-enoyloxy)-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] hexanoate.
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 thapsigargicin
Property Insights of thapsigargicin
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for thapsigargicin. The TPSA of 172.0 Ų indicates high polarity, suggesting thapsigargicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, thapsigargicin has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of thapsigargicin?
The CAS number of thapsigargicin is 67526-94-7.
What is the molecular formula of thapsigargicin?
The molecular formula of thapsigargicin is C32H46O12.
What is the molecular weight of thapsigargicin?
The molecular weight of thapsigargicin is 622.29895 g/mol.
What are the applications of thapsigargicin?
thapsigargicin is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies thapsigargicin (CAS 67526-94-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and...
Where can I buy thapsigargicin?
You can request a quote for thapsigargicin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for thapsigargicin?
Yes, CoreyChem provides custom synthesis services for thapsigargicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.