Salvigenolide
TL;DR: Salvigenolide (CAS 102818-82-6) is a chemical compound with molecular formula C22H22O7 and molecular weight 398.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,4R,7R,10R)-7-(furan-3-yl)-9-methyl-5,15-dioxo-6,16-dioxatetracyclo[8.7.0.01,14.04,8]heptadeca-8,13-dien-2-yl] acetate
Also Known As: Salvigenolide, KST-1A0533, 2'-Deoxyuridine 5'-triphosphate sodium salt, (6ar,8r,10ar,12r)-8-(furan-3-yl)-7-methyl-3,10-dioxo-5,6,6a,8,10,10a,11,12-octahydro-3h-furo[3',4':4,5]cyclohepta[1,2-d][2]benzofuran-12-yl acetate, (6aR,8R,10aR,12R)-8-(Furan-3-yl)-7-methyl-3,10-dioxo-5,6,6a,8,10,10a,11,12-octahydro-1H,3H-furo[3',4':4,5]cyclohepta[1,2-d][2]benzofuran-12-yl acetate
| Molecular Formula | C22H22O7 |
|---|---|
| Molecular Weight | 398.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.13657 |
| Heavy Atoms | 29 |
| Complexity | 840.0 |
Chemical Identifiers
| CAS Number | 102818-82-6 |
|---|---|
| SMILES | CC1=C2[C@@H](C[C@H](C34[C@@H]1CCC=C3C(=O)OC4)OC(=O)C)C(=O)O[C@H]2C5=COC=C5 |
| InChIKey | AAESZUTUGQRGAR-MRNNJRGVSA-N |
Product Overview
Salvigenolide (CAS 102818-82-6), with molecular formula C22H22O7 and molecular weight 398.14 g/mol. IUPAC: [(2R,4R,7R,10R)-7-(furan-3-yl)-9-methyl-5,15-dioxo-6,16-dioxatetracyclo[8.7.0.01,14.04,8]heptadeca-8,13-dien-2-yl] acetate.
Chemical Property Profile of Salvigenolide
Property Insights of Salvigenolide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Salvigenolide. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Salvigenolide. Following Lipinski's Rule of Five, Salvigenolide has 0 hydrogen bond donor(s) and 7 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 Salvigenolide?
The CAS number of Salvigenolide is 102818-82-6.
What is the molecular formula of Salvigenolide?
The molecular formula of Salvigenolide is C22H22O7.
What is the molecular weight of Salvigenolide?
The molecular weight of Salvigenolide is 398.14 g/mol.
Where can I buy Salvigenolide?
You can request a quote for Salvigenolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Salvigenolide?
Yes, KEHONG BIO provides custom synthesis services for Salvigenolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.