F0601-0056
TL;DR: F0601-0056 (CAS 689749-18-6) is a chemical compound with molecular formula C18H15F3N4O3S2 and molecular weight 456.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-[(thiophene-2-carbonylamino)methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0601-0056, methyl 2-((5-((thiophene-2-carboxamido)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-[(5-{[(thiophen-2-yl)formamido]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]acetate, methyl 2-[[5-[(thiophene-2-carbonylamino)methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C18H15F3N4O3S2 |
|---|---|
| Molecular Weight | 456.05 g/mol |
| LogP | 3.5427 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.05377 |
| Heavy Atoms | 30 |
| Complexity | 1035.7286 |
Chemical Identifiers
| CAS Number | 689749-18-6 |
|---|---|
| SMILES | COC(=O)CSC1=NN=C(N1C2=CC=CC(=C2)C(F)(F)F)CNC(=O)C3=CC=CS3 |
Product Overview
F0601-0056 (CAS 689749-18-6), with molecular formula C18H15F3N4O3S2 and molecular weight 456.05 g/mol. IUPAC: methyl 2-[[5-[(thiophene-2-carbonylamino)methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of F0601-0056
Property Insights of F0601-0056
The XLogP value of 3.5427 indicates that F0601-0056 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for F0601-0056. Following Lipinski's Rule of Five, F0601-0056 has 1 hydrogen bond donor(s) and 7 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 F0601-0056?
The CAS number of F0601-0056 is 689749-18-6.
What is the molecular formula of F0601-0056?
The molecular formula of F0601-0056 is C18H15F3N4O3S2.
What is the molecular weight of F0601-0056?
The molecular weight of F0601-0056 is 456.05 g/mol.
Where can I buy F0601-0056?
You can request a quote for F0601-0056 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0601-0056?
Yes, KEHONG BIO provides custom synthesis services for F0601-0056 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.