![ethyl 5-methoxy-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate structure](/static/products/499/499211-91-5.png)
ethyl 5-methoxy-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate
TL;DR: ethyl 5-methoxy-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate (CAS 499211-91-5) is a chemical compound with molecular formula C16H19N3O3S and molecular weight 333.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methoxy-3-(prop-2-enylcarbamothioylamino)-1H-indole-2-carboxylate
Also Known As: ethyl 3-(3-allylthioureido)-5-methoxy-1H-indole-2-carboxylate, ethyl 5-methoxy-3-(prop-2-enylcarbamothioylamino)-1H-indole-2-carboxylate, ethyl 5-methoxy-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate
| Molecular Formula | C16H19N3O3S |
|---|---|
| Molecular Weight | 333.11 g/mol |
| LogP | 2.8256 |
| Topological Polar Surface Area | 75.38 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.11472 |
| Heavy Atoms | 23 |
| Complexity | 739.49084 |
Chemical Identifiers
| CAS Number | 499211-91-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=S)NCC=C |
Product Overview
ethyl 5-methoxy-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate (CAS 499211-91-5), with molecular formula C16H19N3O3S and molecular weight 333.11 g/mol. IUPAC: ethyl 5-methoxy-3-(prop-2-enylcarbamothioylamino)-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 5-methoxy-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate
Property Insights of ethyl 5-methoxy-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate
The XLogP value of 2.8256 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-methoxy-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate. The TPSA of 75.38 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-methoxy-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 5-methoxy-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate has 3 hydrogen bond donor(s) and 4 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-methoxy-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate?
The CAS number of ethyl 5-methoxy-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate is 499211-91-5.
What is the molecular formula of ethyl 5-methoxy-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate?
The molecular formula of ethyl 5-methoxy-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate is C16H19N3O3S.
What is the molecular weight of ethyl 5-methoxy-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate?
The molecular weight of ethyl 5-methoxy-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate is 333.11 g/mol.
Where can I buy ethyl 5-methoxy-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate?
You can request a quote for ethyl 5-methoxy-3-[(prop-2-en-1-ylcarbamothioyl)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-methoxy-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-methoxy-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.