Iodocytidine
TL;DR: Iodocytidine (CAS 13161-83-6) is a chemical compound with molecular formula C9H12IN3O5 and molecular weight 368.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
Also Known As: 5-Iodocytidine, 5-Iodo-cytidine, Iodocytidine, Cytidine, 5-iodo-, 5-iodo-d-cytidine
| Molecular Formula | C9H12IN3O5 |
|---|---|
| Molecular Weight | 368.98 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 368.98218 |
| Heavy Atoms | 18 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 13161-83-6 |
|---|---|
| SMILES | C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)I |
| InChIKey | LQQGJDJXUSAEMZ-UAKXSSHOSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Iodocytidine (CAS 13161-83-6), with molecular formula C9H12IN3O5 and molecular weight 368.98 g/mol. IUPAC: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one.
Chemical Property Profile of Iodocytidine
Property Insights of Iodocytidine
The XLogP value of -1.7 indicates that Iodocytidine 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 Iodocytidine. Following Lipinski's Rule of Five, Iodocytidine 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 Iodocytidine?
The CAS number of Iodocytidine is 13161-83-6.
What is the molecular formula of Iodocytidine?
The molecular formula of Iodocytidine is C9H12IN3O5.
What is the molecular weight of Iodocytidine?
The molecular weight of Iodocytidine is 368.98 g/mol.
Where can I buy Iodocytidine?
You can request a quote for Iodocytidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iodocytidine?
Yes, KEHONG BIO provides custom synthesis services for Iodocytidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.