Lofentanil Oxalate
TL;DR: Lofentanil Oxalate (CAS 61380-41-4) is a chemical compound with molecular formula C27H34N2O7 and molecular weight 498.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (3S,4R)-3-methyl-1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate;oxalic acid
Also Known As: Lofentanil oxalate, Lofentaniloxalat, retinylpropionate, Lofentanil oxalate [USAN], Lofentanil oxalate (USAN)
| Molecular Formula | C27H34N2O7 |
|---|---|
| Molecular Weight | 498.24 g/mol |
| LogP | 3.08 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 498.2366 |
| Heavy Atoms | 36 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 61380-41-4 |
|---|---|
| SMILES | CCC(=O)N(C1=CC=CC=C1)[C@@]2(CCN(C[C@@H]2C)CCC3=CC=CC=C3)C(=O)OC.C(=O)(C(=O)O)O |
| InChIKey | CBKLICUQYUTWQL-XWGBWKJCSA-N |
Product Overview
Lofentanil Oxalate (CAS 61380-41-4), with molecular formula C27H34N2O7 and molecular weight 498.24 g/mol. IUPAC: methyl (3S,4R)-3-methyl-1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate;oxalic acid.
Chemical Property Profile of Lofentanil Oxalate
Property Insights of Lofentanil Oxalate
The XLogP value of 3.08 indicates that Lofentanil Oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Lofentanil Oxalate. Following Lipinski's Rule of Five, Lofentanil Oxalate has 2 hydrogen bond donor(s) and 8 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 Lofentanil Oxalate?
The CAS number of Lofentanil Oxalate is 61380-41-4.
What is the molecular formula of Lofentanil Oxalate?
The molecular formula of Lofentanil Oxalate is C27H34N2O7.
What is the molecular weight of Lofentanil Oxalate?
The molecular weight of Lofentanil Oxalate is 498.24 g/mol.
Where can I buy Lofentanil Oxalate?
You can request a quote for Lofentanil Oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lofentanil Oxalate?
Yes, KEHONG BIO provides custom synthesis services for Lofentanil Oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.