KST-1A0998
TL;DR: KST-1A0998 (CAS 128944-81-0) is a chemical compound with molecular formula C21H23NO9 and molecular weight 433.13727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,5R,7S)-16-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imino-5-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraen-18-one
Also Known As: KST-1A0998, (1e,6as,8r,9as)-1-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imino}-8-hydroxy-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-11(1h)-one, Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-11(1H)-one, 2,3,6a,8,9,9a-hexahydro-8-hydroxy-1-((2-hydroxy-1,1-bis(hydroxymethyl)ethyl)imino)-4-methoxy-, (6aS-(6aalpha,8beta,9aalpha))-, (3S,5R,7S)-16-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imino-5-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraen-18-one, Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-11(1H)-one,2,3,6a,8,9,9a-hexahydro-8-hydroxy-1-((2-hydroxy-1,1-bis(hydroxymethyl)ethyl)imino)-4-methoxy-,(6aS-(6aalpha,8beta,9aalpha))
Technical Specifications
| Molecular Formula | C21H23NO9 |
| Molecular Weight | 433.13727 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.13727 Da |
| Heavy Atoms | 31 |
| Complexity | 798.0 |
| SMILES | COC1=C2C3=C(C(=NC(CO)(CO)CO)CC3)C(=O)OC2=C4[C@@H]5C[C@@H](O[C@@H]5OC4=C1)O |
| InChIKey | BTUXOMDCOCLGPM-NOPHNCEQSA-N |
Chemical Property Profile of KST-1A0998
Property Insights of KST-1A0998
The XLogP value of -1.3 indicates that KST-1A0998 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.0 Ų indicates high polarity, suggesting KST-1A0998 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KST-1A0998 has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of KST-1A0998?
The CAS number of KST-1A0998 is 128944-81-0.
What is the molecular formula of KST-1A0998?
The molecular formula of KST-1A0998 is C21H23NO9.
What is the molecular weight of KST-1A0998?
The molecular weight of KST-1A0998 is 433.13727 g/mol.
Where can I buy KST-1A0998?
You can request a quote for KST-1A0998 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for KST-1A0998?
Yes, CoreyChem provides custom synthesis services for KST-1A0998 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.