Valtorcitabine
TL;DR: Valtorcitabine (CAS 359689-54-6) is a chemical compound with molecular formula C14H22N4O5 and molecular weight 326.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate
Also Known As: Valtorcitabine, valtorcitabina, valtorcitabinum, Valtorcitabine [INN], Epcitabine
| Molecular Formula | C14H22N4O5 |
|---|---|
| Molecular Weight | 326.16 g/mol |
| LogP | -0.9996 |
| Topological Polar Surface Area | 142.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.15903 |
| Heavy Atoms | 23 |
| Complexity | 617.43036 |
Chemical Identifiers
| CAS Number | 359689-54-6 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O[C@@H]1C[C@H](O[C@H]1CO)N2C=CC(=NC2=O)N)N |
Product Overview
Valtorcitabine (CAS 359689-54-6), with molecular formula C14H22N4O5 and molecular weight 326.16 g/mol. IUPAC: [(2S,3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate.
Chemical Property Profile of Valtorcitabine
Property Insights of Valtorcitabine
The XLogP value of -0.9996 indicates that Valtorcitabine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 142.69 Ų indicates high polarity, suggesting Valtorcitabine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Valtorcitabine has 3 hydrogen bond donor(s) and 8 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 Valtorcitabine?
The CAS number of Valtorcitabine is 359689-54-6.
What is the molecular formula of Valtorcitabine?
The molecular formula of Valtorcitabine is C14H22N4O5.
What is the molecular weight of Valtorcitabine?
The molecular weight of Valtorcitabine is 326.16 g/mol.
Where can I buy Valtorcitabine?
You can request a quote for Valtorcitabine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valtorcitabine?
Yes, KEHONG BIO provides custom synthesis services for Valtorcitabine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.