4-Oxo-1-(propan-2-yl)-1,4-dihydroquinoline-3-carboxylate
TL;DR: 4-Oxo-1-(propan-2-yl)-1,4-dihydroquinoline-3-carboxylate (CAS 53977-47-2) is a chemical compound with molecular formula C13H12NO3- and molecular weight 230.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-1-propan-2-ylquinoline-3-carboxylate
Also Known As: 4-oxo-1-propan-2-ylquinoline-3-carboxylate, 4-oxo-1-(propan-2-yl)-1,4-dihydroquinoline-3-carboxylate
| Molecular Formula | C13H12NO3- |
|---|---|
| Molecular Weight | 230.08 g/mol |
| LogP | 0.9459 |
| Topological Polar Surface Area | 62.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.08171 |
| Heavy Atoms | 17 |
| Complexity | 640.6449 |
Chemical Identifiers
| CAS Number | 53977-47-2 |
|---|---|
| SMILES | CC(C)N1C=C(C(=O)C2=CC=CC=C21)C(=O)[O-] |
Product Overview
4-Oxo-1-(propan-2-yl)-1,4-dihydroquinoline-3-carboxylate (CAS 53977-47-2), with molecular formula C13H12NO3- and molecular weight 230.08 g/mol. IUPAC: 4-oxo-1-propan-2-ylquinoline-3-carboxylate.
Chemical Property Profile of 4-Oxo-1-(propan-2-yl)-1,4-dihydroquinoline-3-carboxylate
Property Insights of 4-Oxo-1-(propan-2-yl)-1,4-dihydroquinoline-3-carboxylate
The XLogP value of 0.9459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-1-(propan-2-yl)-1,4-dihydroquinoline-3-carboxylate. The TPSA of 62.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-1-(propan-2-yl)-1,4-dihydroquinoline-3-carboxylate. Following Lipinski's Rule of Five, 4-Oxo-1-(propan-2-yl)-1,4-dihydroquinoline-3-carboxylate has 0 hydrogen bond donor(s) and 3 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 4-Oxo-1-(propan-2-yl)-1,4-dihydroquinoline-3-carboxylate?
The CAS number of 4-Oxo-1-(propan-2-yl)-1,4-dihydroquinoline-3-carboxylate is 53977-47-2.
What is the molecular formula of 4-Oxo-1-(propan-2-yl)-1,4-dihydroquinoline-3-carboxylate?
The molecular formula of 4-Oxo-1-(propan-2-yl)-1,4-dihydroquinoline-3-carboxylate is C13H12NO3-.
What is the molecular weight of 4-Oxo-1-(propan-2-yl)-1,4-dihydroquinoline-3-carboxylate?
The molecular weight of 4-Oxo-1-(propan-2-yl)-1,4-dihydroquinoline-3-carboxylate is 230.08 g/mol.
Where can I buy 4-Oxo-1-(propan-2-yl)-1,4-dihydroquinoline-3-carboxylate?
You can request a quote for 4-Oxo-1-(propan-2-yl)-1,4-dihydroquinoline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-1-(propan-2-yl)-1,4-dihydroquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-1-(propan-2-yl)-1,4-dihydroquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.