2'-Deoxy-2'-methylidene-5-fluorocytidine
TL;DR: 2'-Deoxy-2'-methylidene-5-fluorocytidine (CAS 129531-96-0) is a chemical compound with molecular formula C10H12FN3O4 and molecular weight 257.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidin-2-one
Also Known As: 2-Dmfc, FDMDC, 2'-Deoxy-2'-methylidene-5-fluorocytidine, 2/'-Deoxy-2/'-methylidene-5-fluorocytidine, 2'-Deoxy-5-fluoro-2'-methylidenecytidine
| Molecular Formula | C10H12FN3O4 |
|---|---|
| Molecular Weight | 257.08 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.08118 |
| Heavy Atoms | 18 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 129531-96-0 |
|---|---|
| SMILES | C=C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)F)CO)O |
| InChIKey | CBFZRLQZSOMINR-BKPPORCPSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2'-Deoxy-2'-methylidene-5-fluorocytidine (CAS 129531-96-0), with molecular formula C10H12FN3O4 and molecular weight 257.08 g/mol. IUPAC: 4-amino-5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidin-2-one.
Chemical Property Profile of 2'-Deoxy-2'-methylidene-5-fluorocytidine
Property Insights of 2'-Deoxy-2'-methylidene-5-fluorocytidine
The XLogP value of -1.7 indicates that 2'-Deoxy-2'-methylidene-5-fluorocytidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Deoxy-2'-methylidene-5-fluorocytidine. Following Lipinski's Rule of Five, 2'-Deoxy-2'-methylidene-5-fluorocytidine 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-2'-methylidene-5-fluorocytidine?
The CAS number of 2'-Deoxy-2'-methylidene-5-fluorocytidine is 129531-96-0.
What is the molecular formula of 2'-Deoxy-2'-methylidene-5-fluorocytidine?
The molecular formula of 2'-Deoxy-2'-methylidene-5-fluorocytidine is C10H12FN3O4.
What is the molecular weight of 2'-Deoxy-2'-methylidene-5-fluorocytidine?
The molecular weight of 2'-Deoxy-2'-methylidene-5-fluorocytidine is 257.08 g/mol.
Where can I buy 2'-Deoxy-2'-methylidene-5-fluorocytidine?
You can request a quote for 2'-Deoxy-2'-methylidene-5-fluorocytidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Deoxy-2'-methylidene-5-fluorocytidine?
Yes, KEHONG BIO provides custom synthesis services for 2'-Deoxy-2'-methylidene-5-fluorocytidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.