2'-Deoxy-5-fluoro-N-methylcytidine
TL;DR: 2'-Deoxy-5-fluoro-N-methylcytidine (CAS 2248-73-9) is a chemical compound with molecular formula C10H14FN3O4 and molecular weight 259.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one
Also Known As: 2'-deoxy-5-fluoro-n-methylcytidine, N-Methyl-5-fluorodeoxycytidine, 5-Fluoro-N4-methyl-2'-deoxycytidine, Cytidine, 2'-deoxy-5-fluoro-N-methyl-, 5-Fluoro-N-methyl-2'-deoxycytidine
| Molecular Formula | C10H14FN3O4 |
|---|---|
| Molecular Weight | 259.10 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 94.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.09683 |
| Heavy Atoms | 18 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 2248-73-9 |
|---|---|
| SMILES | CNC1=NC(=O)N(C=C1F)[C@H]2C[C@@H]([C@H](O2)CO)O |
| InChIKey | SPWIGPQVICYSOT-XLPZGREQSA-N |
Product Overview
2'-Deoxy-5-fluoro-N-methylcytidine (CAS 2248-73-9), with molecular formula C10H14FN3O4 and molecular weight 259.10 g/mol. IUPAC: 5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one.
Chemical Property Profile of 2'-Deoxy-5-fluoro-N-methylcytidine
Property Insights of 2'-Deoxy-5-fluoro-N-methylcytidine
The XLogP value of -1.1 indicates that 2'-Deoxy-5-fluoro-N-methylcytidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Deoxy-5-fluoro-N-methylcytidine. Following Lipinski's Rule of Five, 2'-Deoxy-5-fluoro-N-methylcytidine has 3 hydrogen bond donor(s) and 5 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 2'-Deoxy-5-fluoro-N-methylcytidine?
The CAS number of 2'-Deoxy-5-fluoro-N-methylcytidine is 2248-73-9.
What is the molecular formula of 2'-Deoxy-5-fluoro-N-methylcytidine?
The molecular formula of 2'-Deoxy-5-fluoro-N-methylcytidine is C10H14FN3O4.
What is the molecular weight of 2'-Deoxy-5-fluoro-N-methylcytidine?
The molecular weight of 2'-Deoxy-5-fluoro-N-methylcytidine is 259.10 g/mol.
Where can I buy 2'-Deoxy-5-fluoro-N-methylcytidine?
You can request a quote for 2'-Deoxy-5-fluoro-N-methylcytidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Deoxy-5-fluoro-N-methylcytidine?
Yes, KEHONG BIO provides custom synthesis services for 2'-Deoxy-5-fluoro-N-methylcytidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.