2M-729
TL;DR: 2M-729 (CAS 477886-68-3) is a chemical compound with molecular formula C13H9ClF3N3O3 and molecular weight 347.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-6-methyl-4-oxopyridine-3-carboxylic acid
Also Known As: 2M-729, 1-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)amino)-6-methyl-4-oxo-1,4-dihydro-3-pyridinecarboxylic acid, 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-6-methyl-4-oxopyridine-3-carboxylic acid, 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-6-methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid, 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-6-methyl-4-oxo-pyridine-3-carboxylic Acid
| Molecular Formula | C13H9ClF3N3O3 |
|---|---|
| Molecular Weight | 347.03 g/mol |
| LogP | 2.79732 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.02844 |
| Heavy Atoms | 23 |
| Complexity | 833.4352 |
Chemical Identifiers
| CAS Number | 477886-68-3 |
|---|---|
| SMILES | CC1=CC(=O)C(=CN1NC2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)O |
Product Overview
2M-729 (CAS 477886-68-3), with molecular formula C13H9ClF3N3O3 and molecular weight 347.03 g/mol. IUPAC: 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-6-methyl-4-oxopyridine-3-carboxylic acid.
Chemical Property Profile of 2M-729
Property Insights of 2M-729
The XLogP value of 2.79732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2M-729. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2M-729. Following Lipinski's Rule of Five, 2M-729 has 2 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 2M-729?
The CAS number of 2M-729 is 477886-68-3.
What is the molecular formula of 2M-729?
The molecular formula of 2M-729 is C13H9ClF3N3O3.
What is the molecular weight of 2M-729?
The molecular weight of 2M-729 is 347.03 g/mol.
Where can I buy 2M-729?
You can request a quote for 2M-729 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2M-729?
Yes, KEHONG BIO provides custom synthesis services for 2M-729 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.