(S,R)-N-(1-Phenylethyl) Ibuprofen Amide
TL;DR: (S,R)-N-(1-Phenylethyl) Ibuprofen Amide (CAS 121734-79-0) is a chemical compound with molecular formula C21H27NO and molecular weight 309.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide
Also Known As: Ibuprofen Impurity 50, (S,R)-N-(1-Phenylethyl) Ibuprofen Amide, (2R)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide, (2SR)-2-(4-Isobutylphenyl)-N-((RS)-1-phenylethyl)propanamide, (2S)-2-(4-Isobutylphenyl)-N-[(1R)-1-phenylethyl]propanamide
| Molecular Formula | C21H27NO |
|---|---|
| Molecular Weight | 309.21 g/mol |
| LogP | 4.866 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.20926 |
| Heavy Atoms | 23 |
| Complexity | 616.0496 |
Chemical Identifiers
| CAS Number | 121734-79-0 |
|---|---|
| SMILES | C[C@H](C1=CC=C(C=C1)CC(C)C)C(=O)N[C@@H](C)C2=CC=CC=C2 |
Product Overview
(S,R)-N-(1-Phenylethyl) Ibuprofen Amide (CAS 121734-79-0), with molecular formula C21H27NO and molecular weight 309.21 g/mol. IUPAC: (2R)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide.
Chemical Property Profile of (S,R)-N-(1-Phenylethyl) Ibuprofen Amide
Property Insights of (S,R)-N-(1-Phenylethyl) Ibuprofen Amide
The XLogP value of 4.866 indicates that (S,R)-N-(1-Phenylethyl) Ibuprofen Amide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, (S,R)-N-(1-Phenylethyl) Ibuprofen Amide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S,R)-N-(1-Phenylethyl) Ibuprofen Amide has 1 hydrogen bond donor(s) and 1 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 (S,R)-N-(1-Phenylethyl) Ibuprofen Amide?
The CAS number of (S,R)-N-(1-Phenylethyl) Ibuprofen Amide is 121734-79-0.
What is the molecular formula of (S,R)-N-(1-Phenylethyl) Ibuprofen Amide?
The molecular formula of (S,R)-N-(1-Phenylethyl) Ibuprofen Amide is C21H27NO.
What is the molecular weight of (S,R)-N-(1-Phenylethyl) Ibuprofen Amide?
The molecular weight of (S,R)-N-(1-Phenylethyl) Ibuprofen Amide is 309.21 g/mol.
Where can I buy (S,R)-N-(1-Phenylethyl) Ibuprofen Amide?
You can request a quote for (S,R)-N-(1-Phenylethyl) Ibuprofen Amide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S,R)-N-(1-Phenylethyl) Ibuprofen Amide?
Yes, KEHONG BIO provides custom synthesis services for (S,R)-N-(1-Phenylethyl) Ibuprofen Amide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.