![ethyl 3-[(benzylcarbamothioyl)amino]-1H-indole-2-carboxylate structure](/static/products/488/488855-32-9.png)
ethyl 3-[(benzylcarbamothioyl)amino]-1H-indole-2-carboxylate
TL;DR: ethyl 3-[(benzylcarbamothioyl)amino]-1H-indole-2-carboxylate (CAS 488855-32-9) is a chemical compound with molecular formula C19H19N3O2S and molecular weight 353.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(benzylcarbamothioylamino)-1H-indole-2-carboxylate
Also Known As: ethyl 3-(3-benzylthioureido)-1H-indole-2-carboxylate, ethyl 3-(benzylcarbamothioylamino)-1H-indole-2-carboxylate, ethyl 3-[(benzylcarbamothioyl)amino]-1H-indole-2-carboxylate
| Molecular Formula | C19H19N3O2S |
|---|---|
| Molecular Weight | 353.12 g/mol |
| LogP | 3.8312 |
| Topological Polar Surface Area | 66.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.1198 |
| Heavy Atoms | 25 |
| Complexity | 890.0804 |
Chemical Identifiers
| CAS Number | 488855-32-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=S)NCC3=CC=CC=C3 |
Product Overview
ethyl 3-[(benzylcarbamothioyl)amino]-1H-indole-2-carboxylate (CAS 488855-32-9), with molecular formula C19H19N3O2S and molecular weight 353.12 g/mol. IUPAC: ethyl 3-(benzylcarbamothioylamino)-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 3-[(benzylcarbamothioyl)amino]-1H-indole-2-carboxylate
Property Insights of ethyl 3-[(benzylcarbamothioyl)amino]-1H-indole-2-carboxylate
The XLogP value of 3.8312 indicates that ethyl 3-[(benzylcarbamothioyl)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 3-[(benzylcarbamothioyl)amino]-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-[(benzylcarbamothioyl)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 3-[(benzylcarbamothioyl)amino]-1H-indole-2-carboxylate?
The CAS number of ethyl 3-[(benzylcarbamothioyl)amino]-1H-indole-2-carboxylate is 488855-32-9.
What is the molecular formula of ethyl 3-[(benzylcarbamothioyl)amino]-1H-indole-2-carboxylate?
The molecular formula of ethyl 3-[(benzylcarbamothioyl)amino]-1H-indole-2-carboxylate is C19H19N3O2S.
What is the molecular weight of ethyl 3-[(benzylcarbamothioyl)amino]-1H-indole-2-carboxylate?
The molecular weight of ethyl 3-[(benzylcarbamothioyl)amino]-1H-indole-2-carboxylate is 353.12 g/mol.
Where can I buy ethyl 3-[(benzylcarbamothioyl)amino]-1H-indole-2-carboxylate?
You can request a quote for ethyl 3-[(benzylcarbamothioyl)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 3-[(benzylcarbamothioyl)amino]-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-[(benzylcarbamothioyl)amino]-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.