2H-041
TL;DR: 2H-041 (CAS 338397-72-1) is a chemical compound with molecular formula C23H12Cl2F6N4O2 and molecular weight 560.02 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]-N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrrole-2-carboxamide
Also Known As: 2H-041, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-chloro-4-{[5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)-1H-pyrrole-2-carboxamide, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[3-chloro-4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]pyrrole-2-carboxamide, N-(3-chloro-4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrole-2-carboxamide, 1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-N-(3-CHLORO-4-([5-(TRIFLUOROMETHYL)-2-PYRIDINYL]OXY)PHENYL)-1H-PYRROLE-2-CARBOXAMIDE
| Molecular Formula | C23H12Cl2F6N4O2 |
|---|---|
| Molecular Weight | 560.02 g/mol |
| LogP | 7.6563 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 560.0242 |
| Heavy Atoms | 37 |
| Complexity | 1453.1097 |
Chemical Identifiers
| CAS Number | 338397-72-1 |
|---|---|
| SMILES | C1=CN(C(=C1)C(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F)Cl)C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
2H-041 (CAS 338397-72-1), with molecular formula C23H12Cl2F6N4O2 and molecular weight 560.02 g/mol. IUPAC: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrrole-2-carboxamide.
Chemical Property Profile of 2H-041
Property Insights of 2H-041
The XLogP value of 7.6563 indicates that 2H-041 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-041. Following Lipinski's Rule of Five, 2H-041 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2H-041?
The CAS number of 2H-041 is 338397-72-1.
What is the molecular formula of 2H-041?
The molecular formula of 2H-041 is C23H12Cl2F6N4O2.
What is the molecular weight of 2H-041?
The molecular weight of 2H-041 is 560.02 g/mol.
Where can I buy 2H-041?
You can request a quote for 2H-041 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-041?
Yes, KEHONG BIO provides custom synthesis services for 2H-041 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.