Ibuprofenyl-coenzyme A
TL;DR: Ibuprofenyl-coenzyme A (CAS 146981-10-4) is a chemical compound with molecular formula C18H21FN4O3 and molecular weight 360.15976 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[(3S)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Also Known As: Ibuprofenyl-coenzyme A, (S-(R,R))-7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid, 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-(1-aminoethyl)-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-4-oxo-, (S-(R*,R*))-, 1,4-Dihydro-1-cyclopropyl-4-oxo-6-fluoro-7-[(3S)-3-[(S)-1-aminoethyl]-1-pyrrolidinyl]-1,8-naphthyridine-3-carboxylic acid, 1,4-Dihydro-1-cyclopropyl-6-fluoro-7-[(3S)-3-[(S)-1-aminoethyl]pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H21FN4O3 |
| Molecular Weight | 360.15976 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 99.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.15976 Da |
| Heavy Atoms | 26 |
| Complexity | 638.0 |
| SMILES | C[C@@H]([C@H]1CCN(C1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F)N |
| InChIKey | WPMBVEWHIIMBCK-UWVGGRQHSA-N |
Chemical Property Profile of Ibuprofenyl-coenzyme A
Property Insights of Ibuprofenyl-coenzyme A
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ibuprofenyl-coenzyme A. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ibuprofenyl-coenzyme A. Following Lipinski's Rule of Five, Ibuprofenyl-coenzyme A 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
What is the CAS number of Ibuprofenyl-coenzyme A?
The CAS number of Ibuprofenyl-coenzyme A is 146981-10-4.
What is the molecular formula of Ibuprofenyl-coenzyme A?
The molecular formula of Ibuprofenyl-coenzyme A is C18H21FN4O3.
What is the molecular weight of Ibuprofenyl-coenzyme A?
The molecular weight of Ibuprofenyl-coenzyme A is 360.15976 g/mol.
Where can I buy Ibuprofenyl-coenzyme A?
You can request a quote for Ibuprofenyl-coenzyme A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ibuprofenyl-coenzyme A?
Yes, CoreyChem provides custom synthesis services for Ibuprofenyl-coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.