ChemDiv1_003966
TL;DR: ChemDiv1_003966 (CAS 312696-79-0) is a chemical compound with molecular formula C22H18ClF3N2O4S2 and molecular weight 530.03 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-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate
Also Known As: ChemDiv1_003966, BIM-0004247.P001, A2436/0103219, ETHYL 5-{[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]CARBAMOYL}-4-METHYL-2-[2-(THIOPHEN-2-YL)ACETAMIDO]THIOPHENE-3-CARBOXYLATE, ethyl 5-((2-chloro-5-(trifluoromethyl)phenyl)carbamoyl)-4-methyl-2-(2-(thiophen-2-yl)acetamido)thiophene-3-carboxylate
| Molecular Formula | C22H18ClF3N2O4S2 |
|---|---|
| Molecular Weight | 530.03 g/mol |
| LogP | 6.40042 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 530.03485 |
| Heavy Atoms | 34 |
| Complexity | 1223.708 |
Chemical Identifiers
| CAS Number | 312696-79-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)NC(=O)CC3=CC=CS3 |
Product Overview
ChemDiv1_003966 (CAS 312696-79-0), with molecular formula C22H18ClF3N2O4S2 and molecular weight 530.03 g/mol. IUPAC: ethyl 5-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_003966
Property Insights of ChemDiv1_003966
The XLogP value of 6.40042 indicates that ChemDiv1_003966 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_003966. Following Lipinski's Rule of Five, ChemDiv1_003966 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_003966?
The CAS number of ChemDiv1_003966 is 312696-79-0.
What is the molecular formula of ChemDiv1_003966?
The molecular formula of ChemDiv1_003966 is C22H18ClF3N2O4S2.
What is the molecular weight of ChemDiv1_003966?
The molecular weight of ChemDiv1_003966 is 530.03 g/mol.
Where can I buy ChemDiv1_003966?
You can request a quote for ChemDiv1_003966 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003966?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003966 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.