CTK3J8684
TL;DR: CTK3J8684 (CAS 100244-20-0) is a chemical compound with molecular formula C12H15N3O7 and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]prop-2-enoate
Also Known As: (E)-5-(2-Carbomethoxyvinyl)-6-aza-2'-deoxyuridine, 2-Propenoic acid,3-[2-(2-deoxy-b-D-erythro-pentofuranosyl)-2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl]-,methyl ester, (E)- (9CI)
| Molecular Formula | C12H15N3O7 |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.091 |
| Heavy Atoms | 22 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 100244-20-0 |
|---|---|
| SMILES | COC(=O)C=CC1=NN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O |
| InChIKey | YJLYYJQICHEART-DJLDLDEBSA-N |
Product Overview
CTK3J8684 (CAS 100244-20-0), with molecular formula C12H15N3O7 and molecular weight 313.09 g/mol. IUPAC: methyl 3-[2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]prop-2-enoate.
Chemical Property Profile of CTK3J8684
Property Insights of CTK3J8684
The XLogP value of -1.2 indicates that CTK3J8684 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK3J8684. Following Lipinski's Rule of Five, CTK3J8684 has 3 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 CTK3J8684?
The CAS number of CTK3J8684 is 100244-20-0.
What is the molecular formula of CTK3J8684?
The molecular formula of CTK3J8684 is C12H15N3O7.
What is the molecular weight of CTK3J8684?
The molecular weight of CTK3J8684 is 313.09 g/mol.
Where can I buy CTK3J8684?
You can request a quote for CTK3J8684 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3J8684?
Yes, KEHONG BIO provides custom synthesis services for CTK3J8684 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.