Ibuprofenyl-coenzyme A
TL;DR: Ibuprofenyl-coenzyme A (CAS 135026-90-3) is a chemical compound with molecular formula C18H21FN4O3 and molecular weight 360.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(3R)-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,S))-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*,S*))-, 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid, 7-((R)-3-((S)-1-Aminoethyl)pyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
| Molecular Formula | C18H21FN4O3 |
|---|---|
| Molecular Weight | 360.16 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.15976 |
| Heavy Atoms | 26 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 135026-90-3 |
|---|---|
| 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-VHSXEESVSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ibuprofenyl-coenzyme A (CAS 135026-90-3), with molecular formula C18H21FN4O3 and molecular weight 360.16 g/mol. IUPAC: 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.
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
Frequently Asked Questions
What is the CAS number of Ibuprofenyl-coenzyme A?
The CAS number of Ibuprofenyl-coenzyme A is 135026-90-3.
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 360.16 g/mol.
Where can I buy Ibuprofenyl-coenzyme A?
You can request a quote for Ibuprofenyl-coenzyme A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ibuprofenyl-coenzyme A?
Yes, KEHONG BIO provides custom synthesis services for Ibuprofenyl-coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.