Etoricoxib-d3
TL;DR: Etoricoxib-d3 (CAS 850896-71-8) is a chemical compound with molecular formula C24H18N4O2S and molecular weight 426.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
Also Known As: Etoricoxib-d3, N'-((2-Hydroxynaphthalen-1-yl)methylene)-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carbohydrazide, N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carbohydrazide, N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carbohydrazide
| Molecular Formula | C24H18N4O2S |
|---|---|
| Molecular Weight | 426.12 g/mol |
| LogP | 5.01812 |
| Topological Polar Surface Area | 79.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.11505 |
| Heavy Atoms | 31 |
| Complexity | 1451.047 |
Chemical Identifiers
| CAS Number | 850896-71-8 |
|---|---|
| SMILES | CC1=NN(C2=C1C=C(S2)C(=O)NN=CC3=C(C=CC4=CC=CC=C43)O)C5=CC=CC=C5 |
Product Overview
Etoricoxib-d3 (CAS 850896-71-8), with molecular formula C24H18N4O2S and molecular weight 426.12 g/mol. IUPAC: N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
Chemical Property Profile of Etoricoxib-d3
Property Insights of Etoricoxib-d3
The XLogP value of 5.01812 indicates that Etoricoxib-d3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.51 Ų falls within the moderate polarity range, balancing permeability and solubility for Etoricoxib-d3. Following Lipinski's Rule of Five, Etoricoxib-d3 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Etoricoxib-d3?
The CAS number of Etoricoxib-d3 is 850896-71-8.
What is the molecular formula of Etoricoxib-d3?
The molecular formula of Etoricoxib-d3 is C24H18N4O2S.
What is the molecular weight of Etoricoxib-d3?
The molecular weight of Etoricoxib-d3 is 426.12 g/mol.
Where can I buy Etoricoxib-d3?
You can request a quote for Etoricoxib-d3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Etoricoxib-d3?
Yes, KEHONG BIO provides custom synthesis services for Etoricoxib-d3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.