![1-[3,5-Bis-O-(4-chlorobenzoyl)-2-O-methylpentofuranosyl]-5-fluoro-4-methoxypyrimidin-2(1H)-one structure](/static/products/7071/70716-06-2.webp)
1-[3,5-Bis-O-(4-chlorobenzoyl)-2-O-methylpentofuranosyl]-5-fluoro-4-methoxypyrimidin-2(1H)-one
TL;DR: 1-[3,5-Bis-O-(4-chlorobenzoyl)-2-O-methylpentofuranosyl]-5-fluoro-4-methoxypyrimidin-2(1H)-one (CAS 70716-06-2) is a chemical compound with molecular formula C25H21Cl2FN2O8 and molecular weight 566.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-chlorobenzoyl)oxy-5-(5-fluoro-4-methoxy-2-oxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl 4-chlorobenzoate
Also Known As: 1-[3,5-Bis-O-(4-chlorobenzoyl)-2-O-methylpentofuranosyl]-5-fluoro-4-methoxypyrimidin-2(1H)-one, [3-(4-chlorobenzoyl)oxy-5-(5-fluoro-4-methoxy-2-oxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl 4-chlorobenzoate
| Molecular Formula | C25H21Cl2FN2O8 |
|---|---|
| Molecular Weight | 566.07 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 566.0659 |
| Heavy Atoms | 38 |
| Complexity | 950.0 |
Chemical Identifiers
| CAS Number | 70716-06-2 |
|---|---|
| SMILES | COC1C(C(OC1N2C=C(C(=NC2=O)OC)F)COC(=O)C3=CC=C(C=C3)Cl)OC(=O)C4=CC=C(C=C4)Cl |
| InChIKey | HKWNPFCSNIVZBP-UHFFFAOYSA-N |
Product Overview
1-[3,5-Bis-O-(4-chlorobenzoyl)-2-O-methylpentofuranosyl]-5-fluoro-4-methoxypyrimidin-2(1H)-one (CAS 70716-06-2), with molecular formula C25H21Cl2FN2O8 and molecular weight 566.07 g/mol. IUPAC: [3-(4-chlorobenzoyl)oxy-5-(5-fluoro-4-methoxy-2-oxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl 4-chlorobenzoate.
Chemical Property Profile of 1-[3,5-Bis-O-(4-chlorobenzoyl)-2-O-methylpentofuranosyl]-5-fluoro-4-methoxypyrimidin-2(1H)-one
Property Insights of 1-[3,5-Bis-O-(4-chlorobenzoyl)-2-O-methylpentofuranosyl]-5-fluoro-4-methoxypyrimidin-2(1H)-one
The XLogP value of 4.4 indicates that 1-[3,5-Bis-O-(4-chlorobenzoyl)-2-O-methylpentofuranosyl]-5-fluoro-4-methoxypyrimidin-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3,5-Bis-O-(4-chlorobenzoyl)-2-O-methylpentofuranosyl]-5-fluoro-4-methoxypyrimidin-2(1H)-one. Following Lipinski's Rule of Five, 1-[3,5-Bis-O-(4-chlorobenzoyl)-2-O-methylpentofuranosyl]-5-fluoro-4-methoxypyrimidin-2(1H)-one has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[3,5-Bis-O-(4-chlorobenzoyl)-2-O-methylpentofuranosyl]-5-fluoro-4-methoxypyrimidin-2(1H)-one?
The CAS number of 1-[3,5-Bis-O-(4-chlorobenzoyl)-2-O-methylpentofuranosyl]-5-fluoro-4-methoxypyrimidin-2(1H)-one is 70716-06-2.
What is the molecular formula of 1-[3,5-Bis-O-(4-chlorobenzoyl)-2-O-methylpentofuranosyl]-5-fluoro-4-methoxypyrimidin-2(1H)-one?
The molecular formula of 1-[3,5-Bis-O-(4-chlorobenzoyl)-2-O-methylpentofuranosyl]-5-fluoro-4-methoxypyrimidin-2(1H)-one is C25H21Cl2FN2O8.
What is the molecular weight of 1-[3,5-Bis-O-(4-chlorobenzoyl)-2-O-methylpentofuranosyl]-5-fluoro-4-methoxypyrimidin-2(1H)-one?
The molecular weight of 1-[3,5-Bis-O-(4-chlorobenzoyl)-2-O-methylpentofuranosyl]-5-fluoro-4-methoxypyrimidin-2(1H)-one is 566.07 g/mol.
Where can I buy 1-[3,5-Bis-O-(4-chlorobenzoyl)-2-O-methylpentofuranosyl]-5-fluoro-4-methoxypyrimidin-2(1H)-one?
You can request a quote for 1-[3,5-Bis-O-(4-chlorobenzoyl)-2-O-methylpentofuranosyl]-5-fluoro-4-methoxypyrimidin-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-Bis-O-(4-chlorobenzoyl)-2-O-methylpentofuranosyl]-5-fluoro-4-methoxypyrimidin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[3,5-Bis-O-(4-chlorobenzoyl)-2-O-methylpentofuranosyl]-5-fluoro-4-methoxypyrimidin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.