2T-0217
TL;DR: 2T-0217 (CAS 957040-55-0) is a chemical compound with molecular formula C21H19ClF3N7 and molecular weight 461.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[2-[2-chloro-4-(trifluoromethyl)anilino]ethyl]-5-methyl-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine
Also Known As: 2T-0217, 4-(4-{2-[2-chloro-4-(trifluoromethyl)anilino]ethyl}-5-methyl-4H-1,2,4-triazol-3-yl)-1-phenyl-1H-pyrazol-5-amine, 4-[4-[2-[2-chloro-4-(trifluoromethyl)anilino]ethyl]-5-methyl-1,2,4-triazol-3-yl]-2-phenylpyrazol-3-amine, 4-[4-(2-{[2-chloro-4-(trifluoromethyl)phenyl]amino}ethyl)-5-methyl-4H-1,2,4-triazol-3-yl]-1-phenyl-1H-pyrazol-5-amine, 4-[4-(2-{[2-chloro-4-(trifluoromethyl)phenyl]amino}ethyl)-5-methyl-1,2,4-triazol-3-yl]-2-phenylpyrazol-3-amine
| Molecular Formula | C21H19ClF3N7 |
|---|---|
| Molecular Weight | 461.13 g/mol |
| LogP | 4.80572 |
| Topological Polar Surface Area | 86.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.13425 |
| Heavy Atoms | 32 |
| Complexity | 1232.1718 |
Chemical Identifiers
| CAS Number | 957040-55-0 |
|---|---|
| SMILES | CC1=NN=C(N1CCNC2=C(C=C(C=C2)C(F)(F)F)Cl)C3=C(N(N=C3)C4=CC=CC=C4)N |
Product Overview
2T-0217 (CAS 957040-55-0), with molecular formula C21H19ClF3N7 and molecular weight 461.13 g/mol. IUPAC: 4-[4-[2-[2-chloro-4-(trifluoromethyl)anilino]ethyl]-5-methyl-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine.
Chemical Property Profile of 2T-0217
Property Insights of 2T-0217
The XLogP value of 4.80572 indicates that 2T-0217 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2T-0217. Following Lipinski's Rule of Five, 2T-0217 has 2 hydrogen bond donor(s) and 5 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 2T-0217?
The CAS number of 2T-0217 is 957040-55-0.
What is the molecular formula of 2T-0217?
The molecular formula of 2T-0217 is C21H19ClF3N7.
What is the molecular weight of 2T-0217?
The molecular weight of 2T-0217 is 461.13 g/mol.
Where can I buy 2T-0217?
You can request a quote for 2T-0217 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2T-0217?
Yes, KEHONG BIO provides custom synthesis services for 2T-0217 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.