1,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
TL;DR: 1,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 37041-23-9) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-dimethyl-4-oxoquinoline-3-carboxylic acid
Also Known As: 1,8-dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1,8-dimethyl-4-oxoquinoline-3-carboxylic acid, 1,8-dimethyl-4-oxo-quinoline-3-carboxylic acid, 1,8-dimethyl-4-oxohydroquinoline-3-carboxylic acid, 1,8-Dimethyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 37041-23-9 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(=O)C(=CN2C)C(=O)O |
| InChIKey | DUWPUOLXHAPRIG-UHFFFAOYSA-N |
Product Overview
1,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 37041-23-9), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: 1,8-dimethyl-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of 1,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Property Insights of 1,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid. With a topological polar surface area (TPSA) of 57.6 Ų, 1,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid has 1 hydrogen bond donor(s) and 4 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 1,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The CAS number of 1,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is 37041-23-9.
What is the molecular formula of 1,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The molecular formula of 1,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is C12H11NO3.
What is the molecular weight of 1,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The molecular weight of 1,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is 217.07 g/mol.
Where can I buy 1,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
You can request a quote for 1,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.