Isocytidine
TL;DR: Isocytidine (CAS 489-59-8) is a chemical compound with molecular formula C9H13N3O5 and molecular weight 243.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
Also Known As: Isocytidine, 2-Amino-1-beta-D-ribofuranosyl-4(1H)-pyrimidinone, 2-Amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-4(1H)-one, 2-Amino-1-?-D-ribofuranosyl-4(1H)-pyrimidinone, 2-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
| Molecular Formula | C9H13N3O5 |
|---|---|
| Molecular Weight | 243.09 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.08553 |
| Heavy Atoms | 17 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 489-59-8 |
|---|---|
| SMILES | C1=CN(C(=NC1=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O |
| InChIKey | RGNOTKMIMZMNRX-XVFCMESISA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isocytidine (CAS 489-59-8), with molecular formula C9H13N3O5 and molecular weight 243.09 g/mol. IUPAC: 2-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one.
Chemical Property Profile of Isocytidine
Property Insights of Isocytidine
The XLogP value of -2.1 indicates that Isocytidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isocytidine. Following Lipinski's Rule of Five, Isocytidine has 4 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 Isocytidine?
The CAS number of Isocytidine is 489-59-8.
What is the molecular formula of Isocytidine?
The molecular formula of Isocytidine is C9H13N3O5.
What is the molecular weight of Isocytidine?
The molecular weight of Isocytidine is 243.09 g/mol.
Where can I buy Isocytidine?
You can request a quote for Isocytidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isocytidine?
Yes, KEHONG BIO provides custom synthesis services for Isocytidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.