Thiofentanil oxalate
TL;DR: Thiofentanil oxalate (CAS 73005-06-8) is a chemical compound with molecular formula C24H30N2O7S and molecular weight 490.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidine-4-carboxylate;oxalic acid
Also Known As: Thiofentanil oxalate, Methyl 4-((1-oxopropyl)phenylamino)-1-(2-(2-thienyl)ethyl)-4-piperidinecarboxylate ethanedioate, 4-Piperidinecarboxylic acid, 4-((1-oxopropyl)phenylamino)-1-(2-(2-thienyl)ethyl)-, methyl ester, ethanedioate, 4-Piperidinecarboxylic acid, 4-((1-oxopropyl)phenylamino)-1-(2-(2-thienyl)ethyl)-, methyl ester, ethanedioate (1:1), methyl 4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidine-4-carboxylate; oxalic acid
| Molecular Formula | C24H30N2O7S |
|---|---|
| Molecular Weight | 490.18 g/mol |
| LogP | 2.897 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 490.17737 |
| Heavy Atoms | 34 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 73005-06-8 |
|---|---|
| SMILES | CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)C(=O)OC.C(=O)(C(=O)O)O |
| InChIKey | BABZHNGIRGHXSO-UHFFFAOYSA-N |
Product Overview
Thiofentanil oxalate (CAS 73005-06-8), with molecular formula C24H30N2O7S and molecular weight 490.18 g/mol. IUPAC: methyl 4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidine-4-carboxylate;oxalic acid.
Chemical Property Profile of Thiofentanil oxalate
Property Insights of Thiofentanil oxalate
The XLogP value of 2.897 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiofentanil oxalate. The TPSA of 153.0 Ų indicates high polarity, suggesting Thiofentanil oxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiofentanil oxalate has 2 hydrogen bond donor(s) and 9 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 Thiofentanil oxalate?
The CAS number of Thiofentanil oxalate is 73005-06-8.
What is the molecular formula of Thiofentanil oxalate?
The molecular formula of Thiofentanil oxalate is C24H30N2O7S.
What is the molecular weight of Thiofentanil oxalate?
The molecular weight of Thiofentanil oxalate is 490.18 g/mol.
Where can I buy Thiofentanil oxalate?
You can request a quote for Thiofentanil oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiofentanil oxalate?
Yes, KEHONG BIO provides custom synthesis services for Thiofentanil oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.