ChemDiv1_003847
TL;DR: ChemDiv1_003847 (CAS 6043-71-6) is a chemical compound with molecular formula C26H25F3N2O7S and molecular weight 566.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-5-[[2-(trifluoromethyl)phenyl]carbamoyl]-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
Also Known As: ChemDiv1_003847, BIM-0044080.P001, ethyl 4-methyl-5-[[2-(trifluoromethyl)phenyl]carbamoyl]-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate, Ethyl 4-methyl-5-{[2-(trifluoromethyl)phenyl]carbamoyl}-2-(3,4,5-trimethoxybenzamido)thiophene-3-carboxylate, ethyl 4-methyl-5-({[2-(trifluoromethyl)phenyl]amino}carbonyl)-2-[(3,4,5-trimethoxybenzoyl)amino]-3-thiophenecarboxylate
| Molecular Formula | C26H25F3N2O7S |
|---|---|
| Molecular Weight | 566.13 g/mol |
| LogP | 5.78242 |
| Topological Polar Surface Area | 112.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 566.1335 |
| Heavy Atoms | 39 |
| Complexity | 1377.6686 |
Chemical Identifiers
| CAS Number | 6043-71-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2C(F)(F)F)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC |
Product Overview
ChemDiv1_003847 (CAS 6043-71-6), with molecular formula C26H25F3N2O7S and molecular weight 566.13 g/mol. IUPAC: ethyl 4-methyl-5-[[2-(trifluoromethyl)phenyl]carbamoyl]-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_003847
Property Insights of ChemDiv1_003847
The XLogP value of 5.78242 indicates that ChemDiv1_003847 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003847. Following Lipinski's Rule of Five, ChemDiv1_003847 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_003847?
The CAS number of ChemDiv1_003847 is 6043-71-6.
What is the molecular formula of ChemDiv1_003847?
The molecular formula of ChemDiv1_003847 is C26H25F3N2O7S.
What is the molecular weight of ChemDiv1_003847?
The molecular weight of ChemDiv1_003847 is 566.13 g/mol.
Where can I buy ChemDiv1_003847?
You can request a quote for ChemDiv1_003847 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003847?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003847 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.