ChemDiv1_003761
TL;DR: ChemDiv1_003761 (CAS 312622-40-5) is a chemical compound with molecular formula C23H18ClF3N2O4S and molecular weight 510.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-chlorobenzoyl)amino]-4-methyl-5-[[2-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate
Also Known As: ChemDiv1_003761, BIM-0042367.P001, ETHYL 2-(3-CHLOROBENZAMIDO)-4-METHYL-5-{[2-(TRIFLUOROMETHYL)PHENYL]CARBAMOYL}THIOPHENE-3-CARBOXYLATE, ethyl 2-(3-chlorobenzamido)-4-methyl-5-((2-(trifluoromethyl)phenyl)carbamoyl)thiophene-3-carboxylate, ethyl 2-[(3-chlorobenzoyl)amino]-4-methyl-5-[[2-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate
| Molecular Formula | C23H18ClF3N2O4S |
|---|---|
| Molecular Weight | 510.06 g/mol |
| LogP | 6.41002 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 510.0628 |
| Heavy Atoms | 34 |
| Complexity | 1257.2526 |
Chemical Identifiers
| CAS Number | 312622-40-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2C(F)(F)F)NC(=O)C3=CC(=CC=C3)Cl |
Product Overview
ChemDiv1_003761 (CAS 312622-40-5), with molecular formula C23H18ClF3N2O4S and molecular weight 510.06 g/mol. IUPAC: ethyl 2-[(3-chlorobenzoyl)amino]-4-methyl-5-[[2-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_003761
Property Insights of ChemDiv1_003761
The XLogP value of 6.41002 indicates that ChemDiv1_003761 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_003761. Following Lipinski's Rule of Five, ChemDiv1_003761 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_003761?
The CAS number of ChemDiv1_003761 is 312622-40-5.
What is the molecular formula of ChemDiv1_003761?
The molecular formula of ChemDiv1_003761 is C23H18ClF3N2O4S.
What is the molecular weight of ChemDiv1_003761?
The molecular weight of ChemDiv1_003761 is 510.06 g/mol.
Where can I buy ChemDiv1_003761?
You can request a quote for ChemDiv1_003761 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003761?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003761 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.