1-(2-Deoxy-2-fluoropentofuranosyl)-4-imino-5-methyl-1,4-dihydropyrimidin-2-ol
TL;DR: 1-(2-Deoxy-2-fluoropentofuranosyl)-4-imino-5-methyl-1,4-dihydropyrimidin-2-ol (CAS 83073-86-3) is a chemical compound with molecular formula C10H14FN3O4 and molecular weight 259.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-[(2S,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
Also Known As: 4-amino-1-(2-deoxy-2-fluoro-, A-d-arabinofuranosyl)-5-methylpyrimidin-2(1h)-one, 1-(2-Deoxy-2-fluoro-alpha-D-arabinofuranosyl)-4-imino-5-methyl-1,4-dihydropyrimidin-2-ol, 1-(2-Deoxy-2-fluoropentofuranosyl)-4-imino-5-methyl-1,4-dihydropyrimidin-2-ol, 4-amino-1-[(2S,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
| Molecular Formula | C10H14FN3O4 |
|---|---|
| Molecular Weight | 259.10 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.09683 |
| Heavy Atoms | 18 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 83073-86-3 |
|---|---|
| SMILES | CC1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@@H]([C@H](O2)CO)O)F |
| InChIKey | QZZJZXAWLQYJFK-AYHNYZOXSA-N |
Product Overview
1-(2-Deoxy-2-fluoropentofuranosyl)-4-imino-5-methyl-1,4-dihydropyrimidin-2-ol (CAS 83073-86-3), with molecular formula C10H14FN3O4 and molecular weight 259.10 g/mol. IUPAC: 4-amino-1-[(2S,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one.
Chemical Property Profile of 1-(2-Deoxy-2-fluoropentofuranosyl)-4-imino-5-methyl-1,4-dihydropyrimidin-2-ol
Property Insights of 1-(2-Deoxy-2-fluoropentofuranosyl)-4-imino-5-methyl-1,4-dihydropyrimidin-2-ol
The XLogP value of -1.0 indicates that 1-(2-Deoxy-2-fluoropentofuranosyl)-4-imino-5-methyl-1,4-dihydropyrimidin-2-ol 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 1-(2-Deoxy-2-fluoropentofuranosyl)-4-imino-5-methyl-1,4-dihydropyrimidin-2-ol. Following Lipinski's Rule of Five, 1-(2-Deoxy-2-fluoropentofuranosyl)-4-imino-5-methyl-1,4-dihydropyrimidin-2-ol 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 1-(2-Deoxy-2-fluoropentofuranosyl)-4-imino-5-methyl-1,4-dihydropyrimidin-2-ol?
The CAS number of 1-(2-Deoxy-2-fluoropentofuranosyl)-4-imino-5-methyl-1,4-dihydropyrimidin-2-ol is 83073-86-3.
What is the molecular formula of 1-(2-Deoxy-2-fluoropentofuranosyl)-4-imino-5-methyl-1,4-dihydropyrimidin-2-ol?
The molecular formula of 1-(2-Deoxy-2-fluoropentofuranosyl)-4-imino-5-methyl-1,4-dihydropyrimidin-2-ol is C10H14FN3O4.
What is the molecular weight of 1-(2-Deoxy-2-fluoropentofuranosyl)-4-imino-5-methyl-1,4-dihydropyrimidin-2-ol?
The molecular weight of 1-(2-Deoxy-2-fluoropentofuranosyl)-4-imino-5-methyl-1,4-dihydropyrimidin-2-ol is 259.10 g/mol.
Where can I buy 1-(2-Deoxy-2-fluoropentofuranosyl)-4-imino-5-methyl-1,4-dihydropyrimidin-2-ol?
You can request a quote for 1-(2-Deoxy-2-fluoropentofuranosyl)-4-imino-5-methyl-1,4-dihydropyrimidin-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Deoxy-2-fluoropentofuranosyl)-4-imino-5-methyl-1,4-dihydropyrimidin-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Deoxy-2-fluoropentofuranosyl)-4-imino-5-methyl-1,4-dihydropyrimidin-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.