ChemDiv1_004098
TL;DR: ChemDiv1_004098 (CAS 296247-22-8) is a chemical compound with molecular formula C25H22ClF3N2O4S and molecular weight 538.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate
Also Known As: ChemDiv1_004098, BIM-0002246.P001, A2242/0094437, ethyl 5-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate, ETHYL 5-{[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]CARBAMOYL}-4-METHYL-2-(3-PHENYLPROPANAMIDO)THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C25H22ClF3N2O4S |
|---|---|
| Molecular Weight | 538.09 g/mol |
| LogP | 6.72902 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 538.0941 |
| Heavy Atoms | 36 |
| Complexity | 1276.299 |
Chemical Identifiers
| CAS Number | 296247-22-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)NC(=O)CCC3=CC=CC=C3 |
Product Overview
ChemDiv1_004098 (CAS 296247-22-8), with molecular formula C25H22ClF3N2O4S and molecular weight 538.09 g/mol. IUPAC: ethyl 5-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_004098
Property Insights of ChemDiv1_004098
The XLogP value of 6.72902 indicates that ChemDiv1_004098 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004098. Following Lipinski's Rule of Five, ChemDiv1_004098 has 2 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 ChemDiv1_004098?
The CAS number of ChemDiv1_004098 is 296247-22-8.
What is the molecular formula of ChemDiv1_004098?
The molecular formula of ChemDiv1_004098 is C25H22ClF3N2O4S.
What is the molecular weight of ChemDiv1_004098?
The molecular weight of ChemDiv1_004098 is 538.09 g/mol.
Where can I buy ChemDiv1_004098?
You can request a quote for ChemDiv1_004098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004098?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.