![ethyl 5-chloro-3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate structure](/static/products/489/489442-77-5.png)
ethyl 5-chloro-3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate
TL;DR: ethyl 5-chloro-3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate (CAS 489442-77-5) is a chemical compound with molecular formula C13H14ClN3O2S and molecular weight 311.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-chloro-3-(methylcarbamothioylamino)-1H-indole-2-carboxylate
Also Known As: ethyl 5-chloro-3-(3-methylthioureido)-1H-indole-2-carboxylate, ethyl 5-chloro-3-(methylcarbamothioylamino)-1H-indole-2-carboxylate, ethyl 5-chloro-3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate
| Molecular Formula | C13H14ClN3O2S |
|---|---|
| Molecular Weight | 311.05 g/mol |
| LogP | 2.9142 |
| Topological Polar Surface Area | 66.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.04953 |
| Heavy Atoms | 20 |
| Complexity | 668.9252 |
Chemical Identifiers
| CAS Number | 489442-77-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=S)NC |
Product Overview
ethyl 5-chloro-3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate (CAS 489442-77-5), with molecular formula C13H14ClN3O2S and molecular weight 311.05 g/mol. IUPAC: ethyl 5-chloro-3-(methylcarbamothioylamino)-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 5-chloro-3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate
Property Insights of ethyl 5-chloro-3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate
The XLogP value of 2.9142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-chloro-3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate. The TPSA of 66.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-chloro-3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 5-chloro-3-[(methylcarbamothioyl)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-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate?
The CAS number of ethyl 5-chloro-3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate is 489442-77-5.
What is the molecular formula of ethyl 5-chloro-3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate?
The molecular formula of ethyl 5-chloro-3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate is C13H14ClN3O2S.
What is the molecular weight of ethyl 5-chloro-3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate?
The molecular weight of ethyl 5-chloro-3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate is 311.05 g/mol.
Where can I buy ethyl 5-chloro-3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate?
You can request a quote for ethyl 5-chloro-3-[(methylcarbamothioyl)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-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-chloro-3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.