ChemDiv1_003920
TL;DR: ChemDiv1_003920 (CAS 296247-42-2) is a chemical compound with molecular formula C23H16Cl2F3N3O6S and molecular weight 589.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-5-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-4-methylthiophene-3-carboxylate
Also Known As: ChemDiv1_003920, BIM-0002117.P001, A2242/0094416, ethyl 2-({4-chloro-3-nitrobenzoyl}amino)-5-{[2-chloro-5-(trifluoromethyl)anilino]carbonyl}-4-methyl-3-thiophenecarboxylate, ETHYL 2-(4-CHLORO-3-NITROBENZAMIDO)-5-{[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]CARBAMOYL}-4-METHYLTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C23H16Cl2F3N3O6S |
|---|---|
| Molecular Weight | 589.01 g/mol |
| LogP | 6.97162 |
| Topological Polar Surface Area | 127.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 589.0089 |
| Heavy Atoms | 38 |
| Complexity | 1458.8802 |
Chemical Identifiers
| CAS Number | 296247-42-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
ChemDiv1_003920 (CAS 296247-42-2), with molecular formula C23H16Cl2F3N3O6S and molecular weight 589.01 g/mol. IUPAC: ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-5-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_003920
Property Insights of ChemDiv1_003920
The XLogP value of 6.97162 indicates that ChemDiv1_003920 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.64 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003920. Following Lipinski's Rule of Five, ChemDiv1_003920 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_003920?
The CAS number of ChemDiv1_003920 is 296247-42-2.
What is the molecular formula of ChemDiv1_003920?
The molecular formula of ChemDiv1_003920 is C23H16Cl2F3N3O6S.
What is the molecular weight of ChemDiv1_003920?
The molecular weight of ChemDiv1_003920 is 589.01 g/mol.
Where can I buy ChemDiv1_003920?
You can request a quote for ChemDiv1_003920 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003920?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003920 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.