3T-0023
TL;DR: 3T-0023 (CAS 956627-68-2) is a chemical compound with molecular formula C18H8Cl2F3N3O3S and molecular weight 472.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
Also Known As: 3T-0023, 1-{4-[5-(2,4-dichlorophenyl)-2-furyl]-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid, 1-[4-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid, 1-{4-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid, 1-(4-[5-(2,4-DICHLOROPHENYL)-2-FURYL]-1,3-THIAZOL-2-YL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
| Molecular Formula | C18H8Cl2F3N3O3S |
|---|---|
| Molecular Weight | 472.96 g/mol |
| LogP | 6.2796 |
| Topological Polar Surface Area | 81.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.96155 |
| Heavy Atoms | 30 |
| Complexity | 1263.0833 |
Chemical Identifiers
| CAS Number | 956627-68-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)C2=CC=C(O2)C3=CSC(=N3)N4C(=C(C=N4)C(=O)O)C(F)(F)F |
Product Overview
3T-0023 (CAS 956627-68-2), with molecular formula C18H8Cl2F3N3O3S and molecular weight 472.96 g/mol. IUPAC: 1-[4-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid.
Chemical Property Profile of 3T-0023
Property Insights of 3T-0023
The XLogP value of 6.2796 indicates that 3T-0023 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 3T-0023. Following Lipinski's Rule of Five, 3T-0023 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3T-0023?
The CAS number of 3T-0023 is 956627-68-2.
What is the molecular formula of 3T-0023?
The molecular formula of 3T-0023 is C18H8Cl2F3N3O3S.
What is the molecular weight of 3T-0023?
The molecular weight of 3T-0023 is 472.96 g/mol.
Where can I buy 3T-0023?
You can request a quote for 3T-0023 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3T-0023?
Yes, KEHONG BIO provides custom synthesis services for 3T-0023 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.