CTK8E0466
TL;DR: CTK8E0466 (CAS 31792-45-7) is a chemical compound with molecular formula C11H14N5O6PS and molecular weight 375.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,6R)-6-(6-amino-8-methylsulfanylpurin-9-yl)-2-hydroxy-2-oxo-4a,5,6,7a-tetrahydro-4H-furo[2,3-d][1,3,2]dioxaphosphinin-5-ol
Also Known As: KST-1A3751, SQ 80002, (5r,6r)-6-[6-amino-8-(methylsulfanyl)-9h-purin-9-yl]tetrahydro-4h-furo[2,3-d][1,3,2]dioxaphosphinine-2,5-diol 2-oxide, (5R,6R)-6-(6-amino-8-methylsulfanylpurin-9-yl)-2-hydroxy-2-oxo-4a,5,6,7a-tetrahydro-4H-furo[2,3-d][1,3,2]dioxaphosphinin-5-ol, (5R,6R)-6-[6-Amino-8-(methylsulfanyl)-9H-purin-9-yl]-2,5-dihydroxytetrahydro-2H,4H-2lambda~5~-furo[2,3-d][1,3,2]dioxaphosphinin-2-one
| Molecular Formula | C11H14N5O6PS |
|---|---|
| Molecular Weight | 375.04 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 2 |
| Exact Mass | 375.04025 |
| Heavy Atoms | 24 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 31792-45-7 |
|---|---|
| SMILES | CSC1=NC2=C(N=CN=C2N1[C@H]3[C@@H](C4COP(=O)(OC4O3)O)O)N |
| InChIKey | HDYHKWPWVLEDBZ-CYOXFXOYSA-N |
Product Overview
CTK8E0466 (CAS 31792-45-7), with molecular formula C11H14N5O6PS and molecular weight 375.04 g/mol. IUPAC: (5R,6R)-6-(6-amino-8-methylsulfanylpurin-9-yl)-2-hydroxy-2-oxo-4a,5,6,7a-tetrahydro-4H-furo[2,3-d][1,3,2]dioxaphosphinin-5-ol.
Chemical Property Profile of CTK8E0466
Property Insights of CTK8E0466
The XLogP value of -1.4 indicates that CTK8E0466 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 180.0 Ų indicates high polarity, suggesting CTK8E0466 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK8E0466 has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK8E0466?
The CAS number of CTK8E0466 is 31792-45-7.
What is the molecular formula of CTK8E0466?
The molecular formula of CTK8E0466 is C11H14N5O6PS.
What is the molecular weight of CTK8E0466?
The molecular weight of CTK8E0466 is 375.04 g/mol.
Where can I buy CTK8E0466?
You can request a quote for CTK8E0466 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK8E0466?
Yes, KEHONG BIO provides custom synthesis services for CTK8E0466 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.