1-(2-chloro-2-deoxy-D-arabinofuranosyl)cytosine
TL;DR: 1-(2-chloro-2-deoxy-D-arabinofuranosyl)cytosine (CAS 58461-30-6) is a chemical compound with molecular formula C9H12ClN3O4 and molecular weight 261.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-[(2R,3S,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Also Known As: 1-(2-Chloro-2-deoxy-D-arabinofuranosyl)cytosine, 1-(2'-Chloro-2'-deoxy-b-D-arabinofuranosyl)cytosine, 1-(2-Chloro-2-deoxy-beta-D-arabinofuranosyl)cytosine, 2(1H)-Pyrimidinone, 4-amino-1-(2-chloro-2-deoxy-beta-D-arabinofuranosyl)-, 4-Amino-1-(2-chloro-2-deoxy-.beta.-D-arabinofuranosyl)pyrimidin-2(1H)-one
| Molecular Formula | C9H12ClN3O4 |
|---|---|
| Molecular Weight | 261.05 g/mol |
| LogP | -1.3165 |
| Topological Polar Surface Area | 110.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.05164 |
| Heavy Atoms | 17 |
| Complexity | 465.79935 |
Chemical Identifiers
| CAS Number | 58461-30-6 |
|---|---|
| SMILES | C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)Cl |
Product Overview
1-(2-chloro-2-deoxy-D-arabinofuranosyl)cytosine (CAS 58461-30-6), with molecular formula C9H12ClN3O4 and molecular weight 261.05 g/mol. IUPAC: 4-amino-1-[(2R,3S,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.
Chemical Property Profile of 1-(2-chloro-2-deoxy-D-arabinofuranosyl)cytosine
Property Insights of 1-(2-chloro-2-deoxy-D-arabinofuranosyl)cytosine
The XLogP value of -1.3165 indicates that 1-(2-chloro-2-deoxy-D-arabinofuranosyl)cytosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-chloro-2-deoxy-D-arabinofuranosyl)cytosine. Following Lipinski's Rule of Five, 1-(2-chloro-2-deoxy-D-arabinofuranosyl)cytosine has 3 hydrogen bond donor(s) and 6 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 1-(2-chloro-2-deoxy-D-arabinofuranosyl)cytosine?
The CAS number of 1-(2-chloro-2-deoxy-D-arabinofuranosyl)cytosine is 58461-30-6.
What is the molecular formula of 1-(2-chloro-2-deoxy-D-arabinofuranosyl)cytosine?
The molecular formula of 1-(2-chloro-2-deoxy-D-arabinofuranosyl)cytosine is C9H12ClN3O4.
What is the molecular weight of 1-(2-chloro-2-deoxy-D-arabinofuranosyl)cytosine?
The molecular weight of 1-(2-chloro-2-deoxy-D-arabinofuranosyl)cytosine is 261.05 g/mol.
Where can I buy 1-(2-chloro-2-deoxy-D-arabinofuranosyl)cytosine?
You can request a quote for 1-(2-chloro-2-deoxy-D-arabinofuranosyl)cytosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-chloro-2-deoxy-D-arabinofuranosyl)cytosine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-chloro-2-deoxy-D-arabinofuranosyl)cytosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.