N4-Dimethylaminomethylene-2',3'-dideoxy-3'-fluorocytidine
TL;DR: N4-Dimethylaminomethylene-2',3'-dideoxy-3'-fluorocytidine (CAS 138848-10-9) is a chemical compound with molecular formula C12H17FN4O3 and molecular weight 284.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
Also Known As: DDFC, N4-Dimethylaminomethylene-2',3'-dideoxy-3'-fluorocytidine, Cytidine, 2',3'-dideoxy-N-((dimethylamino)methylene)-3'-fluoro-, N4 -dimethylaminomethylene-2',3'-dideoxy-3'-fluorocytidine, 2',3'-Dideoxy-N-[(dimethylamino)methylene]-3'-fluoroCytidine
| Molecular Formula | C12H17FN4O3 |
|---|---|
| Molecular Weight | 284.13 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.12848 |
| Heavy Atoms | 20 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 138848-10-9 |
|---|---|
| SMILES | CN(C)C=NC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)CO)F |
| InChIKey | XPEDWRMUCWJRTR-IQJOONFLSA-N |
Product Overview
N4-Dimethylaminomethylene-2',3'-dideoxy-3'-fluorocytidine (CAS 138848-10-9), with molecular formula C12H17FN4O3 and molecular weight 284.13 g/mol. IUPAC: N'-[1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide.
Chemical Property Profile of N4-Dimethylaminomethylene-2',3'-dideoxy-3'-fluorocytidine
Property Insights of N4-Dimethylaminomethylene-2',3'-dideoxy-3'-fluorocytidine
The XLogP value of -0.5 indicates that N4-Dimethylaminomethylene-2',3'-dideoxy-3'-fluorocytidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N4-Dimethylaminomethylene-2',3'-dideoxy-3'-fluorocytidine. Following Lipinski's Rule of Five, N4-Dimethylaminomethylene-2',3'-dideoxy-3'-fluorocytidine has 1 hydrogen bond donor(s) and 4 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 N4-Dimethylaminomethylene-2',3'-dideoxy-3'-fluorocytidine?
The CAS number of N4-Dimethylaminomethylene-2',3'-dideoxy-3'-fluorocytidine is 138848-10-9.
What is the molecular formula of N4-Dimethylaminomethylene-2',3'-dideoxy-3'-fluorocytidine?
The molecular formula of N4-Dimethylaminomethylene-2',3'-dideoxy-3'-fluorocytidine is C12H17FN4O3.
What is the molecular weight of N4-Dimethylaminomethylene-2',3'-dideoxy-3'-fluorocytidine?
The molecular weight of N4-Dimethylaminomethylene-2',3'-dideoxy-3'-fluorocytidine is 284.13 g/mol.
Where can I buy N4-Dimethylaminomethylene-2',3'-dideoxy-3'-fluorocytidine?
You can request a quote for N4-Dimethylaminomethylene-2',3'-dideoxy-3'-fluorocytidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N4-Dimethylaminomethylene-2',3'-dideoxy-3'-fluorocytidine?
Yes, KEHONG BIO provides custom synthesis services for N4-Dimethylaminomethylene-2',3'-dideoxy-3'-fluorocytidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.