2T-0606
TL;DR: 2T-0606 (CAS 861209-43-0) is a chemical compound with molecular formula C17H15F3N2O4S and molecular weight 400.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[3-thiophen-2-yl-3-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]benzoate
Also Known As: 2T-0606, methyl 4-({3-(2-thienyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoyl}amino)benzenecarboxylate, methyl 4-[[3-thiophen-2-yl-3-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]benzoate, methyl 4-[3-(thiophen-2-yl)-3-(2,2,2-trifluoroacetamido)propanamido]benzoate, methyl4-[3-(thiophen-2-yl)-3-(2,2,2-trifluoroacetamido)propanamido]benzoate
| Molecular Formula | C17H15F3N2O4S |
|---|---|
| Molecular Weight | 400.07 g/mol |
| LogP | 3.2831 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.07047 |
| Heavy Atoms | 27 |
| Complexity | 804.58606 |
Chemical Identifiers
| CAS Number | 861209-43-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CC(C2=CC=CS2)NC(=O)C(F)(F)F |
Product Overview
2T-0606 (CAS 861209-43-0), with molecular formula C17H15F3N2O4S and molecular weight 400.07 g/mol. IUPAC: methyl 4-[[3-thiophen-2-yl-3-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]benzoate.
Chemical Property Profile of 2T-0606
Property Insights of 2T-0606
The XLogP value of 3.2831 indicates that 2T-0606 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2T-0606. Following Lipinski's Rule of Five, 2T-0606 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-0606?
The CAS number of 2T-0606 is 861209-43-0.
What is the molecular formula of 2T-0606?
The molecular formula of 2T-0606 is C17H15F3N2O4S.
What is the molecular weight of 2T-0606?
The molecular weight of 2T-0606 is 400.07 g/mol.
Where can I buy 2T-0606?
You can request a quote for 2T-0606 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2T-0606?
Yes, KEHONG BIO provides custom synthesis services for 2T-0606 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.