![3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylic acid structure](/static/products/4014/401466-54-4.webp)
3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylic acid
TL;DR: 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylic acid (CAS 401466-54-4) is a chemical compound with molecular formula C15H14ClNO3 and molecular weight 291.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-3-chlorobut-2-enyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid
Also Known As: AN-512/12674030, 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylic acid, 3-(3-chloro-2-butenyl)-4-hydroxy-2-methyl-6-quinolinecarboxylic acid, 3-(3-chlorobut-2-enyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylic Acid, 3-[(E)-3-chlorobut-2-enyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid
| Molecular Formula | C15H14ClNO3 |
|---|---|
| Molecular Weight | 291.07 g/mol |
| LogP | 3.21982 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.06622 |
| Heavy Atoms | 20 |
| Complexity | 770.51764 |
Chemical Identifiers
| CAS Number | 401466-54-4 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)O)C/C=C(\C)/Cl |
Product Overview
3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylic acid (CAS 401466-54-4), with molecular formula C15H14ClNO3 and molecular weight 291.07 g/mol. IUPAC: 3-[(E)-3-chlorobut-2-enyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid.
Chemical Property Profile of 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylic acid
Property Insights of 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylic acid
The XLogP value of 3.21982 indicates that 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylic acid. Following Lipinski's Rule of Five, 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylic acid has 2 hydrogen bond donor(s) and 2 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 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylic acid?
The CAS number of 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylic acid is 401466-54-4.
What is the molecular formula of 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylic acid?
The molecular formula of 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylic acid is C15H14ClNO3.
What is the molecular weight of 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylic acid?
The molecular weight of 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylic acid is 291.07 g/mol.
Where can I buy 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylic acid?
You can request a quote for 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2E)-3-chlorobut-2-en-1-yl]-4-hydroxy-2-methylquinoline-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.