Ibu-deoxycytidine
TL;DR: Ibu-deoxycytidine (CAS 110522-75-3) is a chemical compound with molecular formula C13H19N3O5 and molecular weight 297.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide
Also Known As: IBU-DEOXYCYTIDINE, N-Isobutyryl-2'-deoxycytidine, N-Isobutyryl-2-deoxycytidine, N4-Isobutyryl-2'-deoxycytidine, 2'-Deoxy-N2-isobutyrylcytidine
| Molecular Formula | C13H19N3O5 |
|---|---|
| Molecular Weight | 297.13 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.13248 |
| Heavy Atoms | 21 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 110522-75-3 |
|---|---|
| SMILES | CC(C)C(=O)NC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)CO)O |
| InChIKey | PDTIVAGPIHEWDX-IQJOONFLSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ibu-deoxycytidine (CAS 110522-75-3), with molecular formula C13H19N3O5 and molecular weight 297.13 g/mol. IUPAC: N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide.
Chemical Property Profile of Ibu-deoxycytidine
Property Insights of Ibu-deoxycytidine
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ibu-deoxycytidine. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ibu-deoxycytidine. Following Lipinski's Rule of Five, Ibu-deoxycytidine 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 Ibu-deoxycytidine?
The CAS number of Ibu-deoxycytidine is 110522-75-3.
What is the molecular formula of Ibu-deoxycytidine?
The molecular formula of Ibu-deoxycytidine is C13H19N3O5.
What is the molecular weight of Ibu-deoxycytidine?
The molecular weight of Ibu-deoxycytidine is 297.13 g/mol.
Where can I buy Ibu-deoxycytidine?
You can request a quote for Ibu-deoxycytidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ibu-deoxycytidine?
Yes, KEHONG BIO provides custom synthesis services for Ibu-deoxycytidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.