5-Methyl-1-(2,3,5-tri-O-benzoylpentofuranosyl)pyrimidine-2,4(1H,3H)-dione
TL;DR: 5-Methyl-1-(2,3,5-tri-O-benzoylpentofuranosyl)pyrimidine-2,4(1H,3H)-dione (CAS 52448-07-4) is a chemical compound with molecular formula C31H26N2O9 and molecular weight 570.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4-dibenzoyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
Also Known As: ChemDiv1_018828, DivK1c_003612, CDS1_002572, BAS 00380138, [3,4-dibenzoyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
| Molecular Formula | C31H26N2O9 |
|---|---|
| Molecular Weight | 570.16 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 570.1638 |
| Heavy Atoms | 42 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 52448-07-4 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5 |
| InChIKey | BJGXIHNHRIWKHA-UHFFFAOYSA-N |
Product Overview
5-Methyl-1-(2,3,5-tri-O-benzoylpentofuranosyl)pyrimidine-2,4(1H,3H)-dione (CAS 52448-07-4), with molecular formula C31H26N2O9 and molecular weight 570.16 g/mol. IUPAC: [3,4-dibenzoyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate.
Chemical Property Profile of 5-Methyl-1-(2,3,5-tri-O-benzoylpentofuranosyl)pyrimidine-2,4(1H,3H)-dione
Property Insights of 5-Methyl-1-(2,3,5-tri-O-benzoylpentofuranosyl)pyrimidine-2,4(1H,3H)-dione
The XLogP value of 4.2 indicates that 5-Methyl-1-(2,3,5-tri-O-benzoylpentofuranosyl)pyrimidine-2,4(1H,3H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-1-(2,3,5-tri-O-benzoylpentofuranosyl)pyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 5-Methyl-1-(2,3,5-tri-O-benzoylpentofuranosyl)pyrimidine-2,4(1H,3H)-dione has 1 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 5-Methyl-1-(2,3,5-tri-O-benzoylpentofuranosyl)pyrimidine-2,4(1H,3H)-dione?
The CAS number of 5-Methyl-1-(2,3,5-tri-O-benzoylpentofuranosyl)pyrimidine-2,4(1H,3H)-dione is 52448-07-4.
What is the molecular formula of 5-Methyl-1-(2,3,5-tri-O-benzoylpentofuranosyl)pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 5-Methyl-1-(2,3,5-tri-O-benzoylpentofuranosyl)pyrimidine-2,4(1H,3H)-dione is C31H26N2O9.
What is the molecular weight of 5-Methyl-1-(2,3,5-tri-O-benzoylpentofuranosyl)pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 5-Methyl-1-(2,3,5-tri-O-benzoylpentofuranosyl)pyrimidine-2,4(1H,3H)-dione is 570.16 g/mol.
Where can I buy 5-Methyl-1-(2,3,5-tri-O-benzoylpentofuranosyl)pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 5-Methyl-1-(2,3,5-tri-O-benzoylpentofuranosyl)pyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-1-(2,3,5-tri-O-benzoylpentofuranosyl)pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-1-(2,3,5-tri-O-benzoylpentofuranosyl)pyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.