3-METHYLQUINOLINE-2-CARBOXYLIC ACID
TL;DR: 3-METHYLQUINOLINE-2-CARBOXYLIC ACID (CAS 606963-18-2) is a chemical compound with molecular formula C24H24N4O3S and molecular weight 448.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzenesulfonyl)-7-cyclohexyl-6-imino-11-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: 3-METHYLQUINOLINE-2-CARBOXYLIC ACID, 1-cyclohexyl-2-imino-10-methyl-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one, 1-Cyclohexyl-2-imino-10-methyl-3-(phenylsulfonyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 5-(Benzenesulfonyl)-7-cyclohexyl-6-imino-11-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one, 1-cyclohexyl-2-imino-10-methyl-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a
| Molecular Formula | C24H24N4O3S |
|---|---|
| Molecular Weight | 448.16 g/mol |
| LogP | 3.77509 |
| Topological Polar Surface Area | 97.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 448.15692 |
| Heavy Atoms | 32 |
| Complexity | 1564.715 |
Chemical Identifiers
| CAS Number | 606963-18-2 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3C4CCCCC4)S(=O)(=O)C5=CC=CC=C5 |
Product Overview
3-METHYLQUINOLINE-2-CARBOXYLIC ACID (CAS 606963-18-2), with molecular formula C24H24N4O3S and molecular weight 448.16 g/mol. IUPAC: 5-(benzenesulfonyl)-7-cyclohexyl-6-imino-11-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.
Chemical Property Profile of 3-METHYLQUINOLINE-2-CARBOXYLIC ACID
Property Insights of 3-METHYLQUINOLINE-2-CARBOXYLIC ACID
The XLogP value of 3.77509 indicates that 3-METHYLQUINOLINE-2-CARBOXYLIC ACID is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-METHYLQUINOLINE-2-CARBOXYLIC ACID. Following Lipinski's Rule of Five, 3-METHYLQUINOLINE-2-CARBOXYLIC ACID has 1 hydrogen bond donor(s) and 5 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-METHYLQUINOLINE-2-CARBOXYLIC ACID?
The CAS number of 3-METHYLQUINOLINE-2-CARBOXYLIC ACID is 606963-18-2.
What is the molecular formula of 3-METHYLQUINOLINE-2-CARBOXYLIC ACID?
The molecular formula of 3-METHYLQUINOLINE-2-CARBOXYLIC ACID is C24H24N4O3S.
What is the molecular weight of 3-METHYLQUINOLINE-2-CARBOXYLIC ACID?
The molecular weight of 3-METHYLQUINOLINE-2-CARBOXYLIC ACID is 448.16 g/mol.
Where can I buy 3-METHYLQUINOLINE-2-CARBOXYLIC ACID?
You can request a quote for 3-METHYLQUINOLINE-2-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-METHYLQUINOLINE-2-CARBOXYLIC ACID?
Yes, KEHONG BIO provides custom synthesis services for 3-METHYLQUINOLINE-2-CARBOXYLIC ACID and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.