F0779-0076
TL;DR: F0779-0076 (CAS 316125-41-4) is a chemical compound with molecular formula C18H20N2O3S2 and molecular weight 376.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dimethyl-2-[(4-methylbenzoyl)carbamothioylamino]thiophene-3-carboxylate
Also Known As: F0779-0076, ETHYL 4,5-DIMETHYL-2-({[(4-METHYLPHENYL)FORMAMIDO]METHANETHIOYL}AMINO)THIOPHENE-3-CARBOXYLATE, ethyl 4,5-dimethyl-2-(3-(4-methylbenzoyl)thioureido)thiophene-3-carboxylate, ethyl 4,5-dimethyl-2-[(4-methylbenzoyl)carbamothioylamino]thiophene-3-carboxylate, ethyl 4,5-dimethyl-2-({[(4-methylphenyl)carbonyl]carbamothioyl}amino)thiophene-3-carboxylate
| Molecular Formula | C18H20N2O3S2 |
|---|---|
| Molecular Weight | 376.09 g/mol |
| LogP | 3.97686 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.09152 |
| Heavy Atoms | 25 |
| Complexity | 810.4738 |
Chemical Identifiers
| CAS Number | 316125-41-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)C2=CC=C(C=C2)C |
Product Overview
F0779-0076 (CAS 316125-41-4), with molecular formula C18H20N2O3S2 and molecular weight 376.09 g/mol. IUPAC: ethyl 4,5-dimethyl-2-[(4-methylbenzoyl)carbamothioylamino]thiophene-3-carboxylate.
Chemical Property Profile of F0779-0076
Property Insights of F0779-0076
The XLogP value of 3.97686 indicates that F0779-0076 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for F0779-0076. Following Lipinski's Rule of Five, F0779-0076 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 F0779-0076?
The CAS number of F0779-0076 is 316125-41-4.
What is the molecular formula of F0779-0076?
The molecular formula of F0779-0076 is C18H20N2O3S2.
What is the molecular weight of F0779-0076?
The molecular weight of F0779-0076 is 376.09 g/mol.
Where can I buy F0779-0076?
You can request a quote for F0779-0076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0779-0076?
Yes, KEHONG BIO provides custom synthesis services for F0779-0076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.