3-O-ethyl 4-O,5-O-dimethyl 3-trimethylplumbylpyrazole-3,4,5-tricarboxylate
TL;DR: 3-O-ethyl 4-O,5-O-dimethyl 3-trimethylplumbylpyrazole-3,4,5-tricarboxylate (CAS 52762-93-3) is a chemical compound with molecular formula C13H20N2O6Pb and molecular weight 508.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-ethyl 4-O,5-O-dimethyl 3-trimethylplumbylpyrazole-3,4,5-tricarboxylate
Also Known As: 3-O-ethyl 4-O,5-O-dimethyl 3-trimethylplumbylpyrazole-3,4,5-tricarboxylate, 3-O-ethyl 4-O,5-O-dimethyl 3-trimethylplumbylpyrazole-3,4,5-, 3-Ethyl 4,5-dimethyl 3-(trimethylplumbyl)-3H-pyrazole-3,4,5-tricarboxylate, RefChem:281406
| Molecular Formula | C13H20N2O6Pb |
|---|---|
| Molecular Weight | 508.11 g/mol |
| LogP | 1.2316 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 508.1088 |
| Heavy Atoms | 22 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 52762-93-3 |
|---|---|
| SMILES | CCOC(=O)C1(C(=C(N=N1)C(=O)OC)C(=O)OC)[Pb](C)(C)C |
| InChIKey | XZUMKZRNRJZBLW-UHFFFAOYSA-N |
Product Overview
3-O-ethyl 4-O,5-O-dimethyl 3-trimethylplumbylpyrazole-3,4,5-tricarboxylate (CAS 52762-93-3), with molecular formula C13H20N2O6Pb and molecular weight 508.11 g/mol. IUPAC: 3-O-ethyl 4-O,5-O-dimethyl 3-trimethylplumbylpyrazole-3,4,5-tricarboxylate.
Chemical Property Profile of 3-O-ethyl 4-O,5-O-dimethyl 3-trimethylplumbylpyrazole-3,4,5-tricarboxylate
Property Insights of 3-O-ethyl 4-O,5-O-dimethyl 3-trimethylplumbylpyrazole-3,4,5-tricarboxylate
The XLogP value of 1.2316 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-O-ethyl 4-O,5-O-dimethyl 3-trimethylplumbylpyrazole-3,4,5-tricarboxylate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-O-ethyl 4-O,5-O-dimethyl 3-trimethylplumbylpyrazole-3,4,5-tricarboxylate. Following Lipinski's Rule of Five, 3-O-ethyl 4-O,5-O-dimethyl 3-trimethylplumbylpyrazole-3,4,5-tricarboxylate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-O-ethyl 4-O,5-O-dimethyl 3-trimethylplumbylpyrazole-3,4,5-tricarboxylate?
The CAS number of 3-O-ethyl 4-O,5-O-dimethyl 3-trimethylplumbylpyrazole-3,4,5-tricarboxylate is 52762-93-3.
What is the molecular formula of 3-O-ethyl 4-O,5-O-dimethyl 3-trimethylplumbylpyrazole-3,4,5-tricarboxylate?
The molecular formula of 3-O-ethyl 4-O,5-O-dimethyl 3-trimethylplumbylpyrazole-3,4,5-tricarboxylate is C13H20N2O6Pb.
What is the molecular weight of 3-O-ethyl 4-O,5-O-dimethyl 3-trimethylplumbylpyrazole-3,4,5-tricarboxylate?
The molecular weight of 3-O-ethyl 4-O,5-O-dimethyl 3-trimethylplumbylpyrazole-3,4,5-tricarboxylate is 508.11 g/mol.
Where can I buy 3-O-ethyl 4-O,5-O-dimethyl 3-trimethylplumbylpyrazole-3,4,5-tricarboxylate?
You can request a quote for 3-O-ethyl 4-O,5-O-dimethyl 3-trimethylplumbylpyrazole-3,4,5-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-ethyl 4-O,5-O-dimethyl 3-trimethylplumbylpyrazole-3,4,5-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-O-ethyl 4-O,5-O-dimethyl 3-trimethylplumbylpyrazole-3,4,5-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.