2H-985
TL;DR: 2H-985 (CAS 338770-22-2) is a chemical compound with molecular formula C22H20ClF3N4O7 and molecular weight 544.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[3-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-2-(ethoxycarbonylcarbamoyl)prop-2-enoyl]carbamate
Also Known As: 2H-985, ethyl N-(3-(3-chloro-4-{[5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-2-{[(ethoxycarbonyl)amino]carbonyl}acryloyl)carbamate, ethyl N-[3-[3-chloro-4-[5-(trifluoromethyl)pyridin-2-yl]oxyanilino]-2-(ethoxycarbonylcarbamoyl)prop-2-enoyl]carbamate, ethyl N-(2-{[(3-chloro-4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}-3-[(ethoxycarbonyl)amino]-3-oxopropanoyl)carbamate, ethylN-(2-{[(3-chloro-4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}-3-[(ethoxycarbonyl)amino]-3-oxopropanoyl)carbamate
| Molecular Formula | C22H20ClF3N4O7 |
|---|---|
| Molecular Weight | 544.10 g/mol |
| LogP | 4.3873 |
| Topological Polar Surface Area | 144.95 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 544.0973 |
| Heavy Atoms | 37 |
| Complexity | 1153.787 |
Chemical Identifiers
| CAS Number | 338770-22-2 |
|---|---|
| SMILES | CCOC(=O)NC(=O)C(=CNC1=CC(=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F)Cl)C(=O)NC(=O)OCC |
Product Overview
2H-985 (CAS 338770-22-2), with molecular formula C22H20ClF3N4O7 and molecular weight 544.10 g/mol. IUPAC: ethyl N-[3-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-2-(ethoxycarbonylcarbamoyl)prop-2-enoyl]carbamate.
Chemical Property Profile of 2H-985
Property Insights of 2H-985
The XLogP value of 4.3873 indicates that 2H-985 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.95 Ų indicates high polarity, suggesting 2H-985 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2H-985 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2H-985?
The CAS number of 2H-985 is 338770-22-2.
What is the molecular formula of 2H-985?
The molecular formula of 2H-985 is C22H20ClF3N4O7.
What is the molecular weight of 2H-985?
The molecular weight of 2H-985 is 544.10 g/mol.
Where can I buy 2H-985?
You can request a quote for 2H-985 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-985?
Yes, KEHONG BIO provides custom synthesis services for 2H-985 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.