![ethyl 3-[(cyclohexylcarbamothioyl)amino]-5-fluoro-1H-indole-2-carboxylate structure](/static/products/488/488102-98-3.png)
ethyl 3-[(cyclohexylcarbamothioyl)amino]-5-fluoro-1H-indole-2-carboxylate
TL;DR: ethyl 3-[(cyclohexylcarbamothioyl)amino]-5-fluoro-1H-indole-2-carboxylate (CAS 488102-98-3) is a chemical compound with molecular formula C18H22FN3O2S and molecular weight 363.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(cyclohexylcarbamothioylamino)-5-fluoro-1H-indole-2-carboxylate
Also Known As: ethyl 3-(3-cyclohexylthioureido)-5-fluoro-1H-indole-2-carboxylate, ethyl 3-(cyclohexylcarbamothioylamino)-5-fluoro-1H-indole-2-carboxylate, ethyl 3-[(cyclohexylcarbamothioyl)amino]-5-fluoro-1H-indole-2-carboxylate
| Molecular Formula | C18H22FN3O2S |
|---|---|
| Molecular Weight | 363.14 g/mol |
| LogP | 4.1028 |
| Topological Polar Surface Area | 66.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.14166 |
| Heavy Atoms | 25 |
| Complexity | 783.9643 |
Chemical Identifiers
| CAS Number | 488102-98-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=S)NC3CCCCC3 |
Product Overview
ethyl 3-[(cyclohexylcarbamothioyl)amino]-5-fluoro-1H-indole-2-carboxylate (CAS 488102-98-3), with molecular formula C18H22FN3O2S and molecular weight 363.14 g/mol. IUPAC: ethyl 3-(cyclohexylcarbamothioylamino)-5-fluoro-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 3-[(cyclohexylcarbamothioyl)amino]-5-fluoro-1H-indole-2-carboxylate
Property Insights of ethyl 3-[(cyclohexylcarbamothioyl)amino]-5-fluoro-1H-indole-2-carboxylate
The XLogP value of 4.1028 indicates that ethyl 3-[(cyclohexylcarbamothioyl)amino]-5-fluoro-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 3-[(cyclohexylcarbamothioyl)amino]-5-fluoro-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-[(cyclohexylcarbamothioyl)amino]-5-fluoro-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 3-[(cyclohexylcarbamothioyl)amino]-5-fluoro-1H-indole-2-carboxylate?
The CAS number of ethyl 3-[(cyclohexylcarbamothioyl)amino]-5-fluoro-1H-indole-2-carboxylate is 488102-98-3.
What is the molecular formula of ethyl 3-[(cyclohexylcarbamothioyl)amino]-5-fluoro-1H-indole-2-carboxylate?
The molecular formula of ethyl 3-[(cyclohexylcarbamothioyl)amino]-5-fluoro-1H-indole-2-carboxylate is C18H22FN3O2S.
What is the molecular weight of ethyl 3-[(cyclohexylcarbamothioyl)amino]-5-fluoro-1H-indole-2-carboxylate?
The molecular weight of ethyl 3-[(cyclohexylcarbamothioyl)amino]-5-fluoro-1H-indole-2-carboxylate is 363.14 g/mol.
Where can I buy ethyl 3-[(cyclohexylcarbamothioyl)amino]-5-fluoro-1H-indole-2-carboxylate?
You can request a quote for ethyl 3-[(cyclohexylcarbamothioyl)amino]-5-fluoro-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 3-[(cyclohexylcarbamothioyl)amino]-5-fluoro-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-[(cyclohexylcarbamothioyl)amino]-5-fluoro-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.