KST-1B8779
TL;DR: KST-1B8779 (CAS 82259-42-5) is a chemical compound with molecular formula C16H19N5O6 and molecular weight 377.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-3-acetyloxy-5-[5-methyl-2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate
Also Known As: KST-1B8779, C4-modified pyrimidine nucloside analog, J1.127.287H, [(2R,3S,5R)-3-acetyloxy-5-[5-methyl-2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate, 1-(3,5-Di-O-acetyl-2-deoxy-beta-D-erythro-pentofuranosyl)-5-methyl-4-(1,2,4-triazol-1-yl)-2(1H)-pyrimidinone
| Molecular Formula | C16H19N5O6 |
|---|---|
| Molecular Weight | 377.13 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 377.13354 |
| Heavy Atoms | 27 |
| Complexity | 693.0 |
Chemical Identifiers
| CAS Number | 82259-42-5 |
|---|---|
| SMILES | CC1=CN(C(=O)N=C1N2C=NC=N2)[C@H]3C[C@@H]([C@H](O3)COC(=O)C)OC(=O)C |
| InChIKey | CPXMZBUOUUNODF-BFHYXJOUSA-N |
Product Overview
KST-1B8779 (CAS 82259-42-5), with molecular formula C16H19N5O6 and molecular weight 377.13 g/mol. IUPAC: [(2R,3S,5R)-3-acetyloxy-5-[5-methyl-2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate.
Chemical Property Profile of KST-1B8779
Property Insights of KST-1B8779
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1B8779. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1B8779. Following Lipinski's Rule of Five, KST-1B8779 has 0 hydrogen bond donor(s) and 8 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 KST-1B8779?
The CAS number of KST-1B8779 is 82259-42-5.
What is the molecular formula of KST-1B8779?
The molecular formula of KST-1B8779 is C16H19N5O6.
What is the molecular weight of KST-1B8779?
The molecular weight of KST-1B8779 is 377.13 g/mol.
Where can I buy KST-1B8779?
You can request a quote for KST-1B8779 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B8779?
Yes, KEHONG BIO provides custom synthesis services for KST-1B8779 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.