ChemDiv1_003976
TL;DR: ChemDiv1_003976 (CAS 312698-10-5) is a chemical compound with molecular formula C21H16ClF3N2O4S2 and molecular weight 516.02 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-(thiophene-2-carbonylamino)thiophene-3-carboxylate
Also Known As: ChemDiv1_003976, BIM-0002270.P001, A2439/0103366, ETHYL 5-{[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]CARBAMOYL}-4-METHYL-2-(THIOPHENE-2-AMIDO)THIOPHENE-3-CARBOXYLATE, ethyl 5-((2-chloro-5-(trifluoromethyl)phenyl)carbamoyl)-4-methyl-2-(thiophene-2-carboxamido)thiophene-3-carboxylate
| Molecular Formula | C21H16ClF3N2O4S2 |
|---|---|
| Molecular Weight | 516.02 g/mol |
| LogP | 6.47152 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 516.0192 |
| Heavy Atoms | 33 |
| Complexity | 1207.0582 |
Chemical Identifiers
| CAS Number | 312698-10-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)NC(=O)C3=CC=CS3 |
Product Overview
ChemDiv1_003976 (CAS 312698-10-5), with molecular formula C21H16ClF3N2O4S2 and molecular weight 516.02 g/mol. IUPAC: ethyl 5-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_003976
Property Insights of ChemDiv1_003976
The XLogP value of 6.47152 indicates that ChemDiv1_003976 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_003976. Following Lipinski's Rule of Five, ChemDiv1_003976 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_003976?
The CAS number of ChemDiv1_003976 is 312698-10-5.
What is the molecular formula of ChemDiv1_003976?
The molecular formula of ChemDiv1_003976 is C21H16ClF3N2O4S2.
What is the molecular weight of ChemDiv1_003976?
The molecular weight of ChemDiv1_003976 is 516.02 g/mol.
Where can I buy ChemDiv1_003976?
You can request a quote for ChemDiv1_003976 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003976?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003976 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.