A2616/0111231
TL;DR: A2616/0111231 (CAS 5771-50-6) is a chemical compound with molecular formula C16H12F6N2O5 and molecular weight 426.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[4-(trifluoromethoxy)anilino]propanoate
Also Known As: A2616/0111231, METHYL 3,3,3-TRIFLUORO-2-(FURAN-2-CARBONYLAMINO)-2-[[4-(TRIFLUOROMETHOXY)PHENYL]AMINO]PROPANOATE, methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[4-(trifluoromethoxy)anilino]propanoate, Methyl 3,3,3-trifluoro-2-(furan-2-carboxamido)-N-[4-(trifluoromethoxy)phenyl]alaninate, Methyl 3,3,3-trifluoro-2-[(furan-2-carbonyl)amino]-N-[4-(trifluoromethoxy)phenyl]alaninate
| Molecular Formula | C16H12F6N2O5 |
|---|---|
| Molecular Weight | 426.07 g/mol |
| LogP | 3.4517 |
| Topological Polar Surface Area | 89.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.06503 |
| Heavy Atoms | 29 |
| Complexity | 848.17554 |
Chemical Identifiers
| CAS Number | 5771-50-6 |
|---|---|
| SMILES | COC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)OC(F)(F)F)NC(=O)C2=CC=CO2 |
Product Overview
A2616/0111231 (CAS 5771-50-6), with molecular formula C16H12F6N2O5 and molecular weight 426.07 g/mol. IUPAC: methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[4-(trifluoromethoxy)anilino]propanoate.
Chemical Property Profile of A2616/0111231
Property Insights of A2616/0111231
The XLogP value of 3.4517 indicates that A2616/0111231 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.8 Ų falls within the moderate polarity range, balancing permeability and solubility for A2616/0111231. Following Lipinski's Rule of Five, A2616/0111231 has 2 hydrogen bond donor(s) and 6 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 A2616/0111231?
The CAS number of A2616/0111231 is 5771-50-6.
What is the molecular formula of A2616/0111231?
The molecular formula of A2616/0111231 is C16H12F6N2O5.
What is the molecular weight of A2616/0111231?
The molecular weight of A2616/0111231 is 426.07 g/mol.
Where can I buy A2616/0111231?
You can request a quote for A2616/0111231 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2616/0111231?
Yes, KEHONG BIO provides custom synthesis services for A2616/0111231 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.