1-(3-O-Benzoyl-2-deoxypentofuranosyl)-4-hydroxypyrimidin-2(1H)-one
TL;DR: 1-(3-O-Benzoyl-2-deoxypentofuranosyl)-4-hydroxypyrimidin-2(1H)-one (CAS 33001-06-8) is a chemical compound with molecular formula C16H16N2O6 and molecular weight 332.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate
Also Known As: 2'-Deoxyuridine 3'-benzoate, KST-1B3318, 1-(3-o-benzoyl-2-deoxypentofuranosyl)pyrimidine-2,4(1h,3h)-dione, 1-(3-O-Benzoyl-2-deoxypentofuranosyl)-4-hydroxypyrimidin-2(1H)-one, [5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate
| Molecular Formula | C16H16N2O6 |
|---|---|
| Molecular Weight | 332.10 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.10083 |
| Heavy Atoms | 24 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 33001-06-8 |
|---|---|
| SMILES | C1C(C(OC1N2C=CC(=O)NC2=O)CO)OC(=O)C3=CC=CC=C3 |
| InChIKey | BAVPJAHZOFCPIE-UHFFFAOYSA-N |
Product Overview
1-(3-O-Benzoyl-2-deoxypentofuranosyl)-4-hydroxypyrimidin-2(1H)-one (CAS 33001-06-8), with molecular formula C16H16N2O6 and molecular weight 332.10 g/mol. IUPAC: [5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate.
Chemical Property Profile of 1-(3-O-Benzoyl-2-deoxypentofuranosyl)-4-hydroxypyrimidin-2(1H)-one
Property Insights of 1-(3-O-Benzoyl-2-deoxypentofuranosyl)-4-hydroxypyrimidin-2(1H)-one
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-O-Benzoyl-2-deoxypentofuranosyl)-4-hydroxypyrimidin-2(1H)-one. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-O-Benzoyl-2-deoxypentofuranosyl)-4-hydroxypyrimidin-2(1H)-one. Following Lipinski's Rule of Five, 1-(3-O-Benzoyl-2-deoxypentofuranosyl)-4-hydroxypyrimidin-2(1H)-one has 2 hydrogen bond donor(s) and 6 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-O-Benzoyl-2-deoxypentofuranosyl)-4-hydroxypyrimidin-2(1H)-one?
The CAS number of 1-(3-O-Benzoyl-2-deoxypentofuranosyl)-4-hydroxypyrimidin-2(1H)-one is 33001-06-8.
What is the molecular formula of 1-(3-O-Benzoyl-2-deoxypentofuranosyl)-4-hydroxypyrimidin-2(1H)-one?
The molecular formula of 1-(3-O-Benzoyl-2-deoxypentofuranosyl)-4-hydroxypyrimidin-2(1H)-one is C16H16N2O6.
What is the molecular weight of 1-(3-O-Benzoyl-2-deoxypentofuranosyl)-4-hydroxypyrimidin-2(1H)-one?
The molecular weight of 1-(3-O-Benzoyl-2-deoxypentofuranosyl)-4-hydroxypyrimidin-2(1H)-one is 332.10 g/mol.
Where can I buy 1-(3-O-Benzoyl-2-deoxypentofuranosyl)-4-hydroxypyrimidin-2(1H)-one?
You can request a quote for 1-(3-O-Benzoyl-2-deoxypentofuranosyl)-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-O-Benzoyl-2-deoxypentofuranosyl)-4-hydroxypyrimidin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-O-Benzoyl-2-deoxypentofuranosyl)-4-hydroxypyrimidin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.