4-Amino-1-(4-thio-
TL;DR: 4-Amino-1-(4-thio- (CAS 208755-50-4) is a chemical compound with molecular formula C9H13N3O4S and molecular weight 259.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one
Also Known As: 4-Amino-1-(4-thio-, A-L-arabinofuranosyl)-2(1H)-pyrimidinone, 4-amino-1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one, 4-Amino-1-((3R,4R,5S)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-thiophen-2-yl)-1H-pyrimidin-2-one, 4-amino-1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one
| Molecular Formula | C9H13N3O4S |
|---|---|
| Molecular Weight | 259.06 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.06268 |
| Heavy Atoms | 17 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 208755-50-4 |
|---|---|
| SMILES | C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@@H](S2)CO)O)O |
| InChIKey | GAKJJSAXUFZQTL-ZAKLUEHWSA-N |
Product Overview
4-Amino-1-(4-thio- (CAS 208755-50-4), with molecular formula C9H13N3O4S and molecular weight 259.06 g/mol. IUPAC: 4-amino-1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one.
Chemical Property Profile of 4-Amino-1-(4-thio-
Property Insights of 4-Amino-1-(4-thio-
The XLogP value of -1.3 indicates that 4-Amino-1-(4-thio- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.0 Ų indicates high polarity, suggesting 4-Amino-1-(4-thio- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Amino-1-(4-thio- 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 4-Amino-1-(4-thio-?
The CAS number of 4-Amino-1-(4-thio- is 208755-50-4.
What is the molecular formula of 4-Amino-1-(4-thio-?
The molecular formula of 4-Amino-1-(4-thio- is C9H13N3O4S.
What is the molecular weight of 4-Amino-1-(4-thio-?
The molecular weight of 4-Amino-1-(4-thio- is 259.06 g/mol.
Where can I buy 4-Amino-1-(4-thio-?
You can request a quote for 4-Amino-1-(4-thio- 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-(4-thio-?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-1-(4-thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.