![ethyl 5-chloro-3-[(ethylcarbamothioyl)amino]-1H-indole-2-carboxylate structure](/static/products/500/500272-50-4.png)
ethyl 5-chloro-3-[(ethylcarbamothioyl)amino]-1H-indole-2-carboxylate
TL;DR: ethyl 5-chloro-3-[(ethylcarbamothioyl)amino]-1H-indole-2-carboxylate (CAS 500272-50-4) is a chemical compound with molecular formula C14H16ClN3O2S and molecular weight 325.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-chloro-3-(ethylcarbamothioylamino)-1H-indole-2-carboxylate
Also Known As: ethyl 5-chloro-3-(3-ethylthioureido)-1H-indole-2-carboxylate, ethyl 5-chloro-3-(ethylcarbamothioylamino)-1H-indole-2-carboxylate, ethyl 5-chloro-3-[(ethylcarbamothioyl)amino]-1H-indole-2-carboxylate
| Molecular Formula | C14H16ClN3O2S |
|---|---|
| Molecular Weight | 325.07 g/mol |
| LogP | 3.3043 |
| Topological Polar Surface Area | 66.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.0652 |
| Heavy Atoms | 21 |
| Complexity | 684.1541 |
Chemical Identifiers
| CAS Number | 500272-50-4 |
|---|---|
| SMILES | CCNC(=S)NC1=C(NC2=C1C=C(C=C2)Cl)C(=O)OCC |
Product Overview
ethyl 5-chloro-3-[(ethylcarbamothioyl)amino]-1H-indole-2-carboxylate (CAS 500272-50-4), with molecular formula C14H16ClN3O2S and molecular weight 325.07 g/mol. IUPAC: ethyl 5-chloro-3-(ethylcarbamothioylamino)-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 5-chloro-3-[(ethylcarbamothioyl)amino]-1H-indole-2-carboxylate
Property Insights of ethyl 5-chloro-3-[(ethylcarbamothioyl)amino]-1H-indole-2-carboxylate
The XLogP value of 3.3043 indicates that ethyl 5-chloro-3-[(ethylcarbamothioyl)amino]-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-chloro-3-[(ethylcarbamothioyl)amino]-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 5-chloro-3-[(ethylcarbamothioyl)amino]-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
Frequently Asked Questions
What is the CAS number of ethyl 5-chloro-3-[(ethylcarbamothioyl)amino]-1H-indole-2-carboxylate?
The CAS number of ethyl 5-chloro-3-[(ethylcarbamothioyl)amino]-1H-indole-2-carboxylate is 500272-50-4.
What is the molecular formula of ethyl 5-chloro-3-[(ethylcarbamothioyl)amino]-1H-indole-2-carboxylate?
The molecular formula of ethyl 5-chloro-3-[(ethylcarbamothioyl)amino]-1H-indole-2-carboxylate is C14H16ClN3O2S.
What is the molecular weight of ethyl 5-chloro-3-[(ethylcarbamothioyl)amino]-1H-indole-2-carboxylate?
The molecular weight of ethyl 5-chloro-3-[(ethylcarbamothioyl)amino]-1H-indole-2-carboxylate is 325.07 g/mol.
Where can I buy ethyl 5-chloro-3-[(ethylcarbamothioyl)amino]-1H-indole-2-carboxylate?
You can request a quote for ethyl 5-chloro-3-[(ethylcarbamothioyl)amino]-1H-indole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-chloro-3-[(ethylcarbamothioyl)amino]-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-chloro-3-[(ethylcarbamothioyl)amino]-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.