11H-029
TL;DR: 11H-029 (CAS 400075-74-3) is a chemical compound with molecular formula C21H19ClF3N5O3 and molecular weight 481.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-1-oxoisoquinolin-4-yl]morpholine-4-carboxamide
Also Known As: 11H-029, N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-1-oxoisoquinolin-4-yl]morpholine-4-carboxamide, N-{2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinyl}-4-morpholinecarboxamide, N-(2-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)-1-oxo-1,2-dihydroisoquinolin-4-yl)morpholine-4-carboxamide, N-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-1-oxo-1,2-dihydroisoquinolin-4-yl)morpholine-4-carboxamide
| Molecular Formula | C21H19ClF3N5O3 |
|---|---|
| Molecular Weight | 481.11 g/mol |
| LogP | 3.8323 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 481.11285 |
| Heavy Atoms | 33 |
| Complexity | 1258.1044 |
Chemical Identifiers
| CAS Number | 400075-74-3 |
|---|---|
| SMILES | CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C=C(C3=CC=CC=C3C2=O)NC(=O)N4CCOCC4 |
Product Overview
11H-029 (CAS 400075-74-3), with molecular formula C21H19ClF3N5O3 and molecular weight 481.11 g/mol. IUPAC: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-1-oxoisoquinolin-4-yl]morpholine-4-carboxamide.
Chemical Property Profile of 11H-029
Property Insights of 11H-029
The XLogP value of 3.8323 indicates that 11H-029 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 11H-029. Following Lipinski's Rule of Five, 11H-029 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 11H-029?
The CAS number of 11H-029 is 400075-74-3.
What is the molecular formula of 11H-029?
The molecular formula of 11H-029 is C21H19ClF3N5O3.
What is the molecular weight of 11H-029?
The molecular weight of 11H-029 is 481.11 g/mol.
Where can I buy 11H-029?
You can request a quote for 11H-029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11H-029?
Yes, KEHONG BIO provides custom synthesis services for 11H-029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.