![4-amino-1-[(2S,5R)-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one structure](/static/products/1609/160963-03-1.webp)
4-amino-1-[(2S,5R)-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one
TL;DR: 4-amino-1-[(2S,5R)-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one (CAS 160963-03-1) is a chemical compound with molecular formula C9H13N3O2S and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-[(2S,5R)-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one
Also Known As: .beta.-L-ddSC, L-ddC, thiophene analog, .beta.-L-2',3'-Dideoxy-4'-thiocytidine, 4-amino-1-[(2S,5R)-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one, 4-Amino-1-((2S,5R)-5-hydroxymethyl-tetrahydro-thiophen-2-yl)-1H-pyrimidin-2-one
| Molecular Formula | C9H13N3O2S |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.07285 |
| Heavy Atoms | 15 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 160963-03-1 |
|---|---|
| SMILES | C1C[C@H](S[C@H]1CO)N2C=CC(=NC2=O)N |
| InChIKey | LAQKYFKORDKGFD-SVRRBLITSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-amino-1-[(2S,5R)-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one (CAS 160963-03-1), with molecular formula C9H13N3O2S and molecular weight 227.07 g/mol. IUPAC: 4-amino-1-[(2S,5R)-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one.
Chemical Property Profile of 4-amino-1-[(2S,5R)-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one
Property Insights of 4-amino-1-[(2S,5R)-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one
The XLogP value of -0.5 indicates that 4-amino-1-[(2S,5R)-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-1-[(2S,5R)-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one. Following Lipinski's Rule of Five, 4-amino-1-[(2S,5R)-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one has 2 hydrogen bond donor(s) and 3 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 4-amino-1-[(2S,5R)-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one?
The CAS number of 4-amino-1-[(2S,5R)-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one is 160963-03-1.
What is the molecular formula of 4-amino-1-[(2S,5R)-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one?
The molecular formula of 4-amino-1-[(2S,5R)-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one is C9H13N3O2S.
What is the molecular weight of 4-amino-1-[(2S,5R)-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one?
The molecular weight of 4-amino-1-[(2S,5R)-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one is 227.07 g/mol.
Where can I buy 4-amino-1-[(2S,5R)-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one?
You can request a quote for 4-amino-1-[(2S,5R)-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-amino-1-[(2S,5R)-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-1-[(2S,5R)-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.