1-(3,5-Di-O-acetyl-2-deoxy-5-C-iodopentofuranosyl)-4-hydroxypyrimidin-2(1H)-one
TL;DR: 1-(3,5-Di-O-acetyl-2-deoxy-5-C-iodopentofuranosyl)-4-hydroxypyrimidin-2(1H)-one (CAS 1956-30-5) is a chemical compound with molecular formula C13H15IN2O7 and molecular weight 437.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[acetyloxy(iodo)methyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
Also Known As: Crystalline, KST-1B1464, 3',5'-DI-O-ACETYL-5-IODO-2'-DEOXYURIDINE, 1-(3,5-di-o-acetyl-2-deoxy-5-c-iodopentofuranosyl)pyrimidine-2,4(1h,3h)-dione, [2-[acetyloxy(iodo)methyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
| Molecular Formula | C13H15IN2O7 |
|---|---|
| Molecular Weight | 437.99 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.9924 |
| Heavy Atoms | 23 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 1956-30-5 |
|---|---|
| SMILES | CC(=O)OC1CC(OC1C(OC(=O)C)I)N2C=CC(=O)NC2=O |
| InChIKey | AJHVMHGESCYBHX-UHFFFAOYSA-N |
Product Overview
1-(3,5-Di-O-acetyl-2-deoxy-5-C-iodopentofuranosyl)-4-hydroxypyrimidin-2(1H)-one (CAS 1956-30-5), with molecular formula C13H15IN2O7 and molecular weight 437.99 g/mol. IUPAC: [2-[acetyloxy(iodo)methyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate.
Chemical Property Profile of 1-(3,5-Di-O-acetyl-2-deoxy-5-C-iodopentofuranosyl)-4-hydroxypyrimidin-2(1H)-one
Property Insights of 1-(3,5-Di-O-acetyl-2-deoxy-5-C-iodopentofuranosyl)-4-hydroxypyrimidin-2(1H)-one
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,5-Di-O-acetyl-2-deoxy-5-C-iodopentofuranosyl)-4-hydroxypyrimidin-2(1H)-one. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,5-Di-O-acetyl-2-deoxy-5-C-iodopentofuranosyl)-4-hydroxypyrimidin-2(1H)-one. Following Lipinski's Rule of Five, 1-(3,5-Di-O-acetyl-2-deoxy-5-C-iodopentofuranosyl)-4-hydroxypyrimidin-2(1H)-one has 1 hydrogen bond donor(s) and 7 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-(3,5-Di-O-acetyl-2-deoxy-5-C-iodopentofuranosyl)-4-hydroxypyrimidin-2(1H)-one?
The CAS number of 1-(3,5-Di-O-acetyl-2-deoxy-5-C-iodopentofuranosyl)-4-hydroxypyrimidin-2(1H)-one is 1956-30-5.
What is the molecular formula of 1-(3,5-Di-O-acetyl-2-deoxy-5-C-iodopentofuranosyl)-4-hydroxypyrimidin-2(1H)-one?
The molecular formula of 1-(3,5-Di-O-acetyl-2-deoxy-5-C-iodopentofuranosyl)-4-hydroxypyrimidin-2(1H)-one is C13H15IN2O7.
What is the molecular weight of 1-(3,5-Di-O-acetyl-2-deoxy-5-C-iodopentofuranosyl)-4-hydroxypyrimidin-2(1H)-one?
The molecular weight of 1-(3,5-Di-O-acetyl-2-deoxy-5-C-iodopentofuranosyl)-4-hydroxypyrimidin-2(1H)-one is 437.99 g/mol.
Where can I buy 1-(3,5-Di-O-acetyl-2-deoxy-5-C-iodopentofuranosyl)-4-hydroxypyrimidin-2(1H)-one?
You can request a quote for 1-(3,5-Di-O-acetyl-2-deoxy-5-C-iodopentofuranosyl)-4-hydroxypyrimidin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,5-Di-O-acetyl-2-deoxy-5-C-iodopentofuranosyl)-4-hydroxypyrimidin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-Di-O-acetyl-2-deoxy-5-C-iodopentofuranosyl)-4-hydroxypyrimidin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.