3T-0011
TL;DR: 3T-0011 (CAS 956502-04-8) is a chemical compound with molecular formula C20H12Cl2F3N3O3S and molecular weight 500.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[4-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate
Also Known As: 3T-0011, ethyl 1-{4-[5-(2,4-dichlorophenyl)-2-furyl]-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate, ethyl 1-[4-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate, ethyl 1-{4-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate, ethyl1-{4-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
| Molecular Formula | C20H12Cl2F3N3O3S |
|---|---|
| Molecular Weight | 500.99 g/mol |
| LogP | 6.7581 |
| Topological Polar Surface Area | 70.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 500.99286 |
| Heavy Atoms | 32 |
| Complexity | 1296.7334 |
Chemical Identifiers
| CAS Number | 956502-04-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl)C(F)(F)F |
Product Overview
3T-0011 (CAS 956502-04-8), with molecular formula C20H12Cl2F3N3O3S and molecular weight 500.99 g/mol. IUPAC: ethyl 1-[4-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate.
Chemical Property Profile of 3T-0011
Property Insights of 3T-0011
The XLogP value of 6.7581 indicates that 3T-0011 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 3T-0011. Following Lipinski's Rule of Five, 3T-0011 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 3T-0011?
The CAS number of 3T-0011 is 956502-04-8.
What is the molecular formula of 3T-0011?
The molecular formula of 3T-0011 is C20H12Cl2F3N3O3S.
What is the molecular weight of 3T-0011?
The molecular weight of 3T-0011 is 500.99 g/mol.
Where can I buy 3T-0011?
You can request a quote for 3T-0011 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3T-0011?
Yes, KEHONG BIO provides custom synthesis services for 3T-0011 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.