CTK3I7556
TL;DR: CTK3I7556 (CAS 95740-12-8) is a chemical compound with molecular formula C14H18FN3O6 and molecular weight 343.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoate
Also Known As: ethyl (E)-3-[4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-pyrimidin-5-yl]prop-2-enoate
| Molecular Formula | C14H18FN3O6 |
|---|---|
| Molecular Weight | 343.12 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 343.11795 |
| Heavy Atoms | 24 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 95740-12-8 |
|---|---|
| SMILES | CCOC(=O)C=CC1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F |
| InChIKey | XOXVSKIGKIGHKL-IHXVIFPJSA-N |
Product Overview
CTK3I7556 (CAS 95740-12-8), with molecular formula C14H18FN3O6 and molecular weight 343.12 g/mol. IUPAC: ethyl 3-[4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoate.
Chemical Property Profile of CTK3I7556
Property Insights of CTK3I7556
The XLogP value of -0.7 indicates that CTK3I7556 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK3I7556. Following Lipinski's Rule of Five, CTK3I7556 has 3 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 CTK3I7556?
The CAS number of CTK3I7556 is 95740-12-8.
What is the molecular formula of CTK3I7556?
The molecular formula of CTK3I7556 is C14H18FN3O6.
What is the molecular weight of CTK3I7556?
The molecular weight of CTK3I7556 is 343.12 g/mol.
Where can I buy CTK3I7556?
You can request a quote for CTK3I7556 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3I7556?
Yes, KEHONG BIO provides custom synthesis services for CTK3I7556 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.