2-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,4-anhydro-2-deoxy-L-arabinitol
TL;DR: 2-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,4-anhydro-2-deoxy-L-arabinitol (CAS 178962-10-2) is a chemical compound with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-[(3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pyrimidin-2-one
Also Known As: NCI60_034374, 2-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,4-anhydro-2-deoxy-L-arabinitol, 2-(4-Amino-2-oxopyrimidin-1(2H)-yl)-1,4-anhydro-2-deoxy-L-arabinitol, 4-amino-1-[(3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pyrimidin-2-one, 4-amino-1-[(3s,4r,5s)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]pyrimidin-2-one
| Molecular Formula | C9H13N3O4 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.0906 |
| Heavy Atoms | 16 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 178962-10-2 |
|---|---|
| SMILES | C1[C@@H]([C@H]([C@@H](O1)CO)O)N2C=CC(=NC2=O)N |
| InChIKey | YQZIOPLVSOBQKZ-VMHSAVOQSA-N |
Product Overview
2-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,4-anhydro-2-deoxy-L-arabinitol (CAS 178962-10-2), with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol. IUPAC: 4-amino-1-[(3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pyrimidin-2-one.
Chemical Property Profile of 2-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,4-anhydro-2-deoxy-L-arabinitol
Property Insights of 2-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,4-anhydro-2-deoxy-L-arabinitol
The XLogP value of -1.6 indicates that 2-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,4-anhydro-2-deoxy-L-arabinitol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,4-anhydro-2-deoxy-L-arabinitol. Following Lipinski's Rule of Five, 2-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,4-anhydro-2-deoxy-L-arabinitol has 3 hydrogen bond donor(s) and 4 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 2-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,4-anhydro-2-deoxy-L-arabinitol?
The CAS number of 2-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,4-anhydro-2-deoxy-L-arabinitol is 178962-10-2.
What is the molecular formula of 2-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,4-anhydro-2-deoxy-L-arabinitol?
The molecular formula of 2-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,4-anhydro-2-deoxy-L-arabinitol is C9H13N3O4.
What is the molecular weight of 2-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,4-anhydro-2-deoxy-L-arabinitol?
The molecular weight of 2-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,4-anhydro-2-deoxy-L-arabinitol is 227.09 g/mol.
Where can I buy 2-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,4-anhydro-2-deoxy-L-arabinitol?
You can request a quote for 2-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,4-anhydro-2-deoxy-L-arabinitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,4-anhydro-2-deoxy-L-arabinitol?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,4-anhydro-2-deoxy-L-arabinitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.