2'-Deoxy-2'-isocyano-1-arabinofuranosylcytosine
TL;DR: 2'-Deoxy-2'-isocyano-1-arabinofuranosylcytosine (CAS 18725-64-9) is a chemical compound with molecular formula C10H12N4O4 and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-[(2R,3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-isocyanooxolan-2-yl]pyrimidin-2-one
Also Known As: NCDAC, 2'-Deoxy-2'-isocyano-1-arabinofuranosylcytosine, 2/'-deoxy-2/'-isocyano-1-arabinofuranosylcytosine, 1-(2-Isocyano-2-deoxy-beta-D-arabinofuranosyl)cytosine, 4-amino-1-[(2R,3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-isocyanooxolan-2-yl]pyrimidin-2-one
| Molecular Formula | C10H12N4O4 |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.08586 |
| Heavy Atoms | 18 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 18725-64-9 |
|---|---|
| SMILES | [C-]#[N+][C@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O |
| InChIKey | SSDLPLWBMNUNRB-VCGXYPBASA-N |
Product Overview
2'-Deoxy-2'-isocyano-1-arabinofuranosylcytosine (CAS 18725-64-9), with molecular formula C10H12N4O4 and molecular weight 252.09 g/mol. IUPAC: 4-amino-1-[(2R,3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-isocyanooxolan-2-yl]pyrimidin-2-one.
Chemical Property Profile of 2'-Deoxy-2'-isocyano-1-arabinofuranosylcytosine
Property Insights of 2'-Deoxy-2'-isocyano-1-arabinofuranosylcytosine
The XLogP value of -2.4 indicates that 2'-Deoxy-2'-isocyano-1-arabinofuranosylcytosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Deoxy-2'-isocyano-1-arabinofuranosylcytosine. Following Lipinski's Rule of Five, 2'-Deoxy-2'-isocyano-1-arabinofuranosylcytosine 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'-isocyano-1-arabinofuranosylcytosine?
The CAS number of 2'-Deoxy-2'-isocyano-1-arabinofuranosylcytosine is 18725-64-9.
What is the molecular formula of 2'-Deoxy-2'-isocyano-1-arabinofuranosylcytosine?
The molecular formula of 2'-Deoxy-2'-isocyano-1-arabinofuranosylcytosine is C10H12N4O4.
What is the molecular weight of 2'-Deoxy-2'-isocyano-1-arabinofuranosylcytosine?
The molecular weight of 2'-Deoxy-2'-isocyano-1-arabinofuranosylcytosine is 252.09 g/mol.
Where can I buy 2'-Deoxy-2'-isocyano-1-arabinofuranosylcytosine?
You can request a quote for 2'-Deoxy-2'-isocyano-1-arabinofuranosylcytosine 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'-isocyano-1-arabinofuranosylcytosine?
Yes, KEHONG BIO provides custom synthesis services for 2'-Deoxy-2'-isocyano-1-arabinofuranosylcytosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.