5-(3-(4-Chloro-phenyl)-isoxazol-5-yl)-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione
TL;DR: 5-(3-(4-Chloro-phenyl)-isoxazol-5-yl)-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione (CAS 133040-30-9) is a chemical compound with molecular formula C18H16ClN3O6 and molecular weight 405.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Also Known As: 5-(3-(4-Chloro-phenyl)-isoxazol-5-yl)-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione, 5-[3-(4-Chlorophenyl)isoxazol-5-yl]-2 -deoxyuridine, URIDINE, 5-(3-(4-CHLOROPHENYL)-5-ISOXAZOLYL)-2'-DEOXY-, 5-(3-(4-Chlorophenyl)-1,2-oxazol-5-yl)-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione, 5-(3-(4-Chlorophenyl)isoxazol-5-yl)-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C18H16ClN3O6 |
|---|---|
| Molecular Weight | 405.07 g/mol |
| LogP | 1.1527 |
| Topological Polar Surface Area | 130.58 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.07275 |
| Heavy Atoms | 28 |
| Complexity | 1103.499 |
Chemical Identifiers
| CAS Number | 133040-30-9 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C3=CC(=NO3)C4=CC=C(C=C4)Cl)CO)O |
Product Overview
5-(3-(4-Chloro-phenyl)-isoxazol-5-yl)-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione (CAS 133040-30-9), with molecular formula C18H16ClN3O6 and molecular weight 405.07 g/mol. IUPAC: 5-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of 5-(3-(4-Chloro-phenyl)-isoxazol-5-yl)-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione
Property Insights of 5-(3-(4-Chloro-phenyl)-isoxazol-5-yl)-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione
The XLogP value of 1.1527 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-(4-Chloro-phenyl)-isoxazol-5-yl)-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione. The TPSA of 130.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-(4-Chloro-phenyl)-isoxazol-5-yl)-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 5-(3-(4-Chloro-phenyl)-isoxazol-5-yl)-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione has 3 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 5-(3-(4-Chloro-phenyl)-isoxazol-5-yl)-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione?
The CAS number of 5-(3-(4-Chloro-phenyl)-isoxazol-5-yl)-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione is 133040-30-9.
What is the molecular formula of 5-(3-(4-Chloro-phenyl)-isoxazol-5-yl)-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione?
The molecular formula of 5-(3-(4-Chloro-phenyl)-isoxazol-5-yl)-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione is C18H16ClN3O6.
What is the molecular weight of 5-(3-(4-Chloro-phenyl)-isoxazol-5-yl)-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione?
The molecular weight of 5-(3-(4-Chloro-phenyl)-isoxazol-5-yl)-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione is 405.07 g/mol.
Where can I buy 5-(3-(4-Chloro-phenyl)-isoxazol-5-yl)-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione?
You can request a quote for 5-(3-(4-Chloro-phenyl)-isoxazol-5-yl)-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-(4-Chloro-phenyl)-isoxazol-5-yl)-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-(4-Chloro-phenyl)-isoxazol-5-yl)-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.