Dimethyl 3-(4-chlorophenyl)-4,5-isoxazoledicarboxylate
TL;DR: Dimethyl 3-(4-chlorophenyl)-4,5-isoxazoledicarboxylate (CAS 147776-97-4) is a chemical compound with molecular formula C13H10ClNO5 and molecular weight 295.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-(4-chlorophenyl)-1,2-oxazole-4,5-dicarboxylate
Also Known As: dimethyl 3-(4-chlorophenyl)-4,5-isoxazoledicarboxylate, 1P-510S, 4,5-dimethyl 3-(4-chlorophenyl)-1,2-oxazole-4,5-dicarboxylate, J2.725.782H, dimethyl 3-(4-chlorophenyl)-1,2-oxazole-4,5-dicarboxylate
| Molecular Formula | C13H10ClNO5 |
|---|---|
| Molecular Weight | 295.02 g/mol |
| LogP | 2.5682 |
| Topological Polar Surface Area | 78.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.02475 |
| Heavy Atoms | 20 |
| Complexity | 647.2812 |
Chemical Identifiers
| CAS Number | 147776-97-4 |
|---|---|
| SMILES | COC(=O)C1=C(ON=C1C2=CC=C(C=C2)Cl)C(=O)OC |
Product Overview
Dimethyl 3-(4-chlorophenyl)-4,5-isoxazoledicarboxylate (CAS 147776-97-4), with molecular formula C13H10ClNO5 and molecular weight 295.02 g/mol. IUPAC: dimethyl 3-(4-chlorophenyl)-1,2-oxazole-4,5-dicarboxylate.
Chemical Property Profile of Dimethyl 3-(4-chlorophenyl)-4,5-isoxazoledicarboxylate
Property Insights of Dimethyl 3-(4-chlorophenyl)-4,5-isoxazoledicarboxylate
The XLogP value of 2.5682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 3-(4-chlorophenyl)-4,5-isoxazoledicarboxylate. The TPSA of 78.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 3-(4-chlorophenyl)-4,5-isoxazoledicarboxylate. Following Lipinski's Rule of Five, Dimethyl 3-(4-chlorophenyl)-4,5-isoxazoledicarboxylate has 0 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 Dimethyl 3-(4-chlorophenyl)-4,5-isoxazoledicarboxylate?
The CAS number of Dimethyl 3-(4-chlorophenyl)-4,5-isoxazoledicarboxylate is 147776-97-4.
What is the molecular formula of Dimethyl 3-(4-chlorophenyl)-4,5-isoxazoledicarboxylate?
The molecular formula of Dimethyl 3-(4-chlorophenyl)-4,5-isoxazoledicarboxylate is C13H10ClNO5.
What is the molecular weight of Dimethyl 3-(4-chlorophenyl)-4,5-isoxazoledicarboxylate?
The molecular weight of Dimethyl 3-(4-chlorophenyl)-4,5-isoxazoledicarboxylate is 295.02 g/mol.
Where can I buy Dimethyl 3-(4-chlorophenyl)-4,5-isoxazoledicarboxylate?
You can request a quote for Dimethyl 3-(4-chlorophenyl)-4,5-isoxazoledicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 3-(4-chlorophenyl)-4,5-isoxazoledicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3-(4-chlorophenyl)-4,5-isoxazoledicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.