F3077-0681
TL;DR: F3077-0681 (CAS 831247-53-1) is a chemical compound with molecular formula C20H16F3NO4S and molecular weight 423.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,5-dimethyl-2-[[5-[2-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiophene-3-carboxylate
Also Known As: F3077-0681, METHYL 4,5-DIMETHYL-2-{5-[2-(TRIFLUOROMETHYL)PHENYL]FURAN-2-AMIDO}THIOPHENE-3-CARBOXYLATE, methyl 4,5-dimethyl-2-(5-(2-(trifluoromethyl)phenyl)furan-2-carboxamido)thiophene-3-carboxylate, methyl 4,5-dimethyl-2-[[5-[2-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiophene-3-carboxylate, methyl 4,5-dimethyl-2-{5-[o-(trifluoromethyl)phenyl]-2-furylamino}-3-thenoate
| Molecular Formula | C20H16F3NO4S |
|---|---|
| Molecular Weight | 423.08 g/mol |
| LogP | 5.68264 |
| Topological Polar Surface Area | 68.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.07523 |
| Heavy Atoms | 29 |
| Complexity | 1081.8296 |
Chemical Identifiers
| CAS Number | 831247-53-1 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(O2)C3=CC=CC=C3C(F)(F)F)C |
Product Overview
F3077-0681 (CAS 831247-53-1), with molecular formula C20H16F3NO4S and molecular weight 423.08 g/mol. IUPAC: methyl 4,5-dimethyl-2-[[5-[2-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of F3077-0681
Property Insights of F3077-0681
The XLogP value of 5.68264 indicates that F3077-0681 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.54 Ų falls within the moderate polarity range, balancing permeability and solubility for F3077-0681. Following Lipinski's Rule of Five, F3077-0681 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 F3077-0681?
The CAS number of F3077-0681 is 831247-53-1.
What is the molecular formula of F3077-0681?
The molecular formula of F3077-0681 is C20H16F3NO4S.
What is the molecular weight of F3077-0681?
The molecular weight of F3077-0681 is 423.08 g/mol.
Where can I buy F3077-0681?
You can request a quote for F3077-0681 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3077-0681?
Yes, KEHONG BIO provides custom synthesis services for F3077-0681 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.