1T-0051
TL;DR: 1T-0051 (CAS 956755-68-3) is a chemical compound with molecular formula C22H15ClF3N3O2S2 and molecular weight 509.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[5-(4-chlorophenyl)sulfanyl-4-phenyl-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate
Also Known As: 1T-0051, ethyl 1-{5-[(4-chlorophenyl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate, ethyl 1-[5-(4-chlorophenyl)sulfanyl-4-phenyl-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate, Ethyl 1-(5-((4-chlorophenyl)thio)-4-phenylthiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
| Molecular Formula | C22H15ClF3N3O2S2 |
|---|---|
| Molecular Weight | 509.02 g/mol |
| LogP | 6.9959 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 509.02463 |
| Heavy Atoms | 33 |
| Complexity | 1272.5356 |
Chemical Identifiers
| CAS Number | 956755-68-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1)C2=NC(=C(S2)SC3=CC=C(C=C3)Cl)C4=CC=CC=C4)C(F)(F)F |
Product Overview
1T-0051 (CAS 956755-68-3), with molecular formula C22H15ClF3N3O2S2 and molecular weight 509.02 g/mol. IUPAC: ethyl 1-[5-(4-chlorophenyl)sulfanyl-4-phenyl-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate.
Chemical Property Profile of 1T-0051
Property Insights of 1T-0051
The XLogP value of 6.9959 indicates that 1T-0051 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, 1T-0051 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1T-0051 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1T-0051?
The CAS number of 1T-0051 is 956755-68-3.
What is the molecular formula of 1T-0051?
The molecular formula of 1T-0051 is C22H15ClF3N3O2S2.
What is the molecular weight of 1T-0051?
The molecular weight of 1T-0051 is 509.02 g/mol.
Where can I buy 1T-0051?
You can request a quote for 1T-0051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1T-0051?
Yes, KEHONG BIO provides custom synthesis services for 1T-0051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.