ChemDiv1_003536
TL;DR: ChemDiv1_003536 (CAS 312623-08-8) is a chemical compound with molecular formula C21H17F3N2O4S2 and molecular weight 482.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-2-(thiophene-2-carbonylamino)-5-[[2-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate
Also Known As: ChemDiv1_003536, BIM-0042666.P001, ETHYL 4-METHYL-2-(THIOPHENE-2-AMIDO)-5-{[2-(TRIFLUOROMETHYL)PHENYL]CARBAMOYL}THIOPHENE-3-CARBOXYLATE, ethyl 4-methyl-2-(2-thienylcarbonylamino)-5-{N-[2-(trifluoromethyl)phenyl]carb amoyl}thiophene-3-carboxylate, ethyl 4-methyl-2-(thiophene-2-carbonylamino)-5-[[2-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate
| Molecular Formula | C21H17F3N2O4S2 |
|---|---|
| Molecular Weight | 482.06 g/mol |
| LogP | 5.81812 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 482.0582 |
| Heavy Atoms | 32 |
| Complexity | 1154.504 |
Chemical Identifiers
| CAS Number | 312623-08-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2C(F)(F)F)NC(=O)C3=CC=CS3 |
Product Overview
ChemDiv1_003536 (CAS 312623-08-8), with molecular formula C21H17F3N2O4S2 and molecular weight 482.06 g/mol. IUPAC: ethyl 4-methyl-2-(thiophene-2-carbonylamino)-5-[[2-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_003536
Property Insights of ChemDiv1_003536
The XLogP value of 5.81812 indicates that ChemDiv1_003536 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_003536. Following Lipinski's Rule of Five, ChemDiv1_003536 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_003536?
The CAS number of ChemDiv1_003536 is 312623-08-8.
What is the molecular formula of ChemDiv1_003536?
The molecular formula of ChemDiv1_003536 is C21H17F3N2O4S2.
What is the molecular weight of ChemDiv1_003536?
The molecular weight of ChemDiv1_003536 is 482.06 g/mol.
Where can I buy ChemDiv1_003536?
You can request a quote for ChemDiv1_003536 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003536?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003536 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.