ChemDiv1_004096
TL;DR: ChemDiv1_004096 (CAS 312696-71-2) is a chemical compound with molecular formula C25H22ClF3N2O5S and molecular weight 554.09 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]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate
Also Known As: ChemDiv1_004096, BIM-0004422.P001, A2436/0103208, ETHYL 5-{[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]CARBAMOYL}-2-[2-(4-METHOXYPHENYL)ACETAMIDO]-4-METHYLTHIOPHENE-3-CARBOXYLATE, ethyl 5-((2-chloro-5-(trifluoromethyl)phenyl)carbamoyl)-2-(2-(4-methoxyphenyl)acetamido)-4-methylthiophene-3-carboxylate
| Molecular Formula | C25H22ClF3N2O5S |
|---|---|
| Molecular Weight | 554.09 g/mol |
| LogP | 6.34752 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 554.089 |
| Heavy Atoms | 37 |
| Complexity | 1323.0967 |
Chemical Identifiers
| CAS Number | 312696-71-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)NC(=O)CC3=CC=C(C=C3)OC |
Product Overview
ChemDiv1_004096 (CAS 312696-71-2), with molecular formula C25H22ClF3N2O5S and molecular weight 554.09 g/mol. IUPAC: ethyl 5-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_004096
Property Insights of ChemDiv1_004096
The XLogP value of 6.34752 indicates that ChemDiv1_004096 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004096. Following Lipinski's Rule of Five, ChemDiv1_004096 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_004096?
The CAS number of ChemDiv1_004096 is 312696-71-2.
What is the molecular formula of ChemDiv1_004096?
The molecular formula of ChemDiv1_004096 is C25H22ClF3N2O5S.
What is the molecular weight of ChemDiv1_004096?
The molecular weight of ChemDiv1_004096 is 554.09 g/mol.
Where can I buy ChemDiv1_004096?
You can request a quote for ChemDiv1_004096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004096?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.