ChemDiv1_003098
TL;DR: ChemDiv1_003098 (CAS 299406-54-5) is a chemical compound with molecular formula C18H14F3N5O4 and molecular weight 421.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide
Also Known As: ChemDiv1_003098, BAS 00398026, 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide, 2-[5-methyl-3-(trifluoromethyl)pyrazolyl]-N-(3-nitro-5-(3-pyridyloxy)phenyl)ac etamide, 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)-N-(3-nitro-5-(pyridin-3-yloxy)phenyl)acetamide
| Molecular Formula | C18H14F3N5O4 |
|---|---|
| Molecular Weight | 421.10 g/mol |
| LogP | 3.94452 |
| Topological Polar Surface Area | 112.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.0998 |
| Heavy Atoms | 30 |
| Complexity | 1083.171 |
Chemical Identifiers
| CAS Number | 299406-54-5 |
|---|---|
| SMILES | CC1=CC(=NN1CC(=O)NC2=CC(=CC(=C2)OC3=CN=CC=C3)[N+](=O)[O-])C(F)(F)F |
Product Overview
ChemDiv1_003098 (CAS 299406-54-5), with molecular formula C18H14F3N5O4 and molecular weight 421.10 g/mol. IUPAC: 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide.
Chemical Property Profile of ChemDiv1_003098
Property Insights of ChemDiv1_003098
The XLogP value of 3.94452 indicates that ChemDiv1_003098 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.18 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003098. Following Lipinski's Rule of Five, ChemDiv1_003098 has 1 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 ChemDiv1_003098?
The CAS number of ChemDiv1_003098 is 299406-54-5.
What is the molecular formula of ChemDiv1_003098?
The molecular formula of ChemDiv1_003098 is C18H14F3N5O4.
What is the molecular weight of ChemDiv1_003098?
The molecular weight of ChemDiv1_003098 is 421.10 g/mol.
Where can I buy ChemDiv1_003098?
You can request a quote for ChemDiv1_003098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003098?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.