CTK3E9619
TL;DR: CTK3E9619 (CAS 81522-11-4) is a chemical compound with molecular formula C22H34N5O16P3S and molecular weight 749.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[5-[2,4-dioxo-5-[3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]prop-1-enyl]pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: [[[5-[2,4-dioxo-5-[(E)-3-[5-(7-oxo-3-thia-6,8-diazabicyclo[3.3.0]oct-2-yl)pentanoylamino]prop-1-enyl]pyrimidin-1-yl]-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid|[[5-[2,4-dioxo-5-[3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]prop-1-enyl]pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
| Molecular Formula | C22H34N5O16P3S |
|---|---|
| Molecular Weight | 749.09 g/mol |
| LogP | -4.9 |
| Topological Polar Surface Area | 334.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 16 |
| Exact Mass | 749.0934 |
| Heavy Atoms | 47 |
| Complexity | 1440.0 |
Chemical Identifiers
| CAS Number | 81522-11-4 |
|---|---|
| SMILES | C1C(C(OC1N2C=C(C(=O)NC2=O)C=CCNC(=O)CCCCC3C4C(CS3)NC(=O)N4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O |
| InChIKey | IYKNGWWPNRDDHK-UHFFFAOYSA-N |
Product Overview
CTK3E9619 (CAS 81522-11-4), with molecular formula C22H34N5O16P3S and molecular weight 749.09 g/mol. IUPAC: [[5-[2,4-dioxo-5-[3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]prop-1-enyl]pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of CTK3E9619
Property Insights of CTK3E9619
The XLogP value of -4.9 indicates that CTK3E9619 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 334.0 Ų indicates high polarity, suggesting CTK3E9619 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK3E9619 has 9 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK3E9619?
The CAS number of CTK3E9619 is 81522-11-4.
What is the molecular formula of CTK3E9619?
The molecular formula of CTK3E9619 is C22H34N5O16P3S.
What is the molecular weight of CTK3E9619?
The molecular weight of CTK3E9619 is 749.09 g/mol.
Where can I buy CTK3E9619?
You can request a quote for CTK3E9619 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3E9619?
Yes, KEHONG BIO provides custom synthesis services for CTK3E9619 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.