2H-050
TL;DR: 2H-050 (CAS 400079-22-3) is a chemical compound with molecular formula C18H10ClF3N2OS and molecular weight 394.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]thieno[2,3-c]pyrrole
Also Known As: 2H-050, 5-(3-chloro-4-{[5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)-5H-thieno[2,3-c]pyrrole, 5-[3-chloro-4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]thieno[2,3-c]pyrrole, 2-(2-chloro-4-{5H-thieno[2,3-c]pyrrol-5-yl}phenoxy)-5-(trifluoromethyl)pyridine, 5-(3-Chloro-4-((5-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)-5H-thieno[2,3-c]pyrrole
| Molecular Formula | C18H10ClF3N2OS |
|---|---|
| Molecular Weight | 394.02 g/mol |
| LogP | 6.5515 |
| Topological Polar Surface Area | 27.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.01544 |
| Heavy Atoms | 26 |
| Complexity | 1041.6772 |
Chemical Identifiers
| CAS Number | 400079-22-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1N2C=C3C=CSC3=C2)Cl)OC4=NC=C(C=C4)C(F)(F)F |
Product Overview
2H-050 (CAS 400079-22-3), with molecular formula C18H10ClF3N2OS and molecular weight 394.02 g/mol. IUPAC: 5-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]thieno[2,3-c]pyrrole.
Chemical Property Profile of 2H-050
Property Insights of 2H-050
The XLogP value of 6.5515 indicates that 2H-050 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.05 Ų, 2H-050 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-050 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2H-050?
The CAS number of 2H-050 is 400079-22-3.
What is the molecular formula of 2H-050?
The molecular formula of 2H-050 is C18H10ClF3N2OS.
What is the molecular weight of 2H-050?
The molecular weight of 2H-050 is 394.02 g/mol.
Where can I buy 2H-050?
You can request a quote for 2H-050 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-050?
Yes, KEHONG BIO provides custom synthesis services for 2H-050 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.