11H-028
TL;DR: 11H-028 (CAS 400075-73-2) is a chemical compound with molecular formula C19H16ClF3N4O5 and molecular weight 472.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]-6-oxodiazinane-4-carboxylate
Also Known As: 11H-028, methyl 2-[[3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]carbamoyl]-6-oxodiazinane-4-carboxylate, methyl 2-[(3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)carbonyl]-6-oxohexahydro-4-pyridazinecarboxylate, methyl 2-[(3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)carbamoyl]-6-oxo-1,2-diazinane-4-carboxylate
| Molecular Formula | C19H16ClF3N4O5 |
|---|---|
| Molecular Weight | 472.08 g/mol |
| LogP | 3.6041 |
| Topological Polar Surface Area | 109.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.07614 |
| Heavy Atoms | 32 |
| Complexity | 1049.8635 |
Chemical Identifiers
| CAS Number | 400075-73-2 |
|---|---|
| SMILES | COC(=O)C1CC(=O)NN(C1)C(=O)NC2=CC(=CC=C2)OC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
11H-028 (CAS 400075-73-2), with molecular formula C19H16ClF3N4O5 and molecular weight 472.08 g/mol. IUPAC: methyl 2-[[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]-6-oxodiazinane-4-carboxylate.
Chemical Property Profile of 11H-028
Property Insights of 11H-028
The XLogP value of 3.6041 indicates that 11H-028 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 11H-028. Following Lipinski's Rule of Five, 11H-028 has 2 hydrogen bond donor(s) and 6 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-028?
The CAS number of 11H-028 is 400075-73-2.
What is the molecular formula of 11H-028?
The molecular formula of 11H-028 is C19H16ClF3N4O5.
What is the molecular weight of 11H-028?
The molecular weight of 11H-028 is 472.08 g/mol.
Where can I buy 11H-028?
You can request a quote for 11H-028 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11H-028?
Yes, KEHONG BIO provides custom synthesis services for 11H-028 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.