ethyl 3-(3-(4-chlorophenyl)thioureido)-1H-indole-2-carboxylate
TL;DR: ethyl 3-(3-(4-chlorophenyl)thioureido)-1H-indole-2-carboxylate (CAS 160424-49-7) is a chemical compound with molecular formula C18H16ClN3O2S and molecular weight 373.0652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-[(4-chlorophenyl)carbamothioylamino]-1H-indole-2-carboxylate
Also Known As: J2.990.705F, ethyl 3-(3-(4-chlorophenyl)thioureido)-1H-indole-2-carboxylate, AB00668910-01, ethyl 3-{[(4-chlorophenyl)carbamothioyl]amino}-1H-indole-2-carboxylate, ethyl 3-[(4-chlorophenyl)carbamothioylamino]-1H-indole-2-carboxylate
Technical Specifications
| Molecular Formula | C18H16ClN3O2S |
| Molecular Weight | 373.0652 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 98.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.0652 Da |
| Heavy Atoms | 25 |
| Complexity | 485.0 |
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=S)NC3=CC=C(C=C3)Cl |
| InChIKey | HGXSSDBXJVNIGT-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 3-(3-(4-chlorophenyl)thioureido)-1H-indole-2-carboxylate
Property Insights of ethyl 3-(3-(4-chlorophenyl)thioureido)-1H-indole-2-carboxylate
The XLogP value of 4.9 indicates that ethyl 3-(3-(4-chlorophenyl)thioureido)-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-(3-(4-chlorophenyl)thioureido)-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-(3-(4-chlorophenyl)thioureido)-1H-indole-2-carboxylate has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ethyl 3-(3-(4-chlorophenyl)thioureido)-1H-indole-2-carboxylate?
The CAS number of ethyl 3-(3-(4-chlorophenyl)thioureido)-1H-indole-2-carboxylate is 160424-49-7.
What is the molecular formula of ethyl 3-(3-(4-chlorophenyl)thioureido)-1H-indole-2-carboxylate?
The molecular formula of ethyl 3-(3-(4-chlorophenyl)thioureido)-1H-indole-2-carboxylate is C18H16ClN3O2S.
What is the molecular weight of ethyl 3-(3-(4-chlorophenyl)thioureido)-1H-indole-2-carboxylate?
The molecular weight of ethyl 3-(3-(4-chlorophenyl)thioureido)-1H-indole-2-carboxylate is 373.0652 g/mol.
Where can I buy ethyl 3-(3-(4-chlorophenyl)thioureido)-1H-indole-2-carboxylate?
You can request a quote for ethyl 3-(3-(4-chlorophenyl)thioureido)-1H-indole-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 3-(3-(4-chlorophenyl)thioureido)-1H-indole-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 3-(3-(4-chlorophenyl)thioureido)-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.