ChemDiv1_003876
TL;DR: ChemDiv1_003876 (CAS 312696-64-3) is a chemical compound with molecular formula C23H17ClF4N2O4S and molecular weight 528.05 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-[(3-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate
Also Known As: ChemDiv1_003876, BIM-0044958.P001, A2435/0103200, ETHYL 5-{[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]CARBAMOYL}-2-(3-FLUOROBENZAMIDO)-4-METHYLTHIOPHENE-3-CARBOXYLATE, ethyl 5-((2-chloro-5-(trifluoromethyl)phenyl)carbamoyl)-2-(3-fluorobenzamido)-4-methylthiophene-3-carboxylate
| Molecular Formula | C23H17ClF4N2O4S |
|---|---|
| Molecular Weight | 528.05 g/mol |
| LogP | 6.54912 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 528.05334 |
| Heavy Atoms | 35 |
| Complexity | 1307.1588 |
Chemical Identifiers
| CAS Number | 312696-64-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)NC(=O)C3=CC(=CC=C3)F |
Product Overview
ChemDiv1_003876 (CAS 312696-64-3), with molecular formula C23H17ClF4N2O4S and molecular weight 528.05 g/mol. IUPAC: ethyl 5-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-2-[(3-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_003876
Property Insights of ChemDiv1_003876
The XLogP value of 6.54912 indicates that ChemDiv1_003876 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_003876. Following Lipinski's Rule of Five, ChemDiv1_003876 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_003876?
The CAS number of ChemDiv1_003876 is 312696-64-3.
What is the molecular formula of ChemDiv1_003876?
The molecular formula of ChemDiv1_003876 is C23H17ClF4N2O4S.
What is the molecular weight of ChemDiv1_003876?
The molecular weight of ChemDiv1_003876 is 528.05 g/mol.
Where can I buy ChemDiv1_003876?
You can request a quote for ChemDiv1_003876 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003876?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003876 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.