![ethyl 3-[(benzylcarbamothioyl)amino]-5-methoxy-1H-indole-2-carboxylate structure](/static/products/489/489404-92-4.png)
ethyl 3-[(benzylcarbamothioyl)amino]-5-methoxy-1H-indole-2-carboxylate
TL;DR: ethyl 3-[(benzylcarbamothioyl)amino]-5-methoxy-1H-indole-2-carboxylate (CAS 489404-92-4) is a chemical compound with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(benzylcarbamothioylamino)-5-methoxy-1H-indole-2-carboxylate
Also Known As: ethyl 3-(3-benzylthioureido)-5-methoxy-1H-indole-2-carboxylate, ethyl 3-(benzylcarbamothioylamino)-5-methoxy-1H-indole-2-carboxylate, ethyl 3-[(benzylcarbamothioyl)amino]-5-methoxy-1H-indole-2-carboxylate
| Molecular Formula | C20H21N3O3S |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | 3.8398 |
| Topological Polar Surface Area | 75.38 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.13037 |
| Heavy Atoms | 27 |
| Complexity | 953.76526 |
Chemical Identifiers
| CAS Number | 489404-92-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=S)NCC3=CC=CC=C3 |
Product Overview
ethyl 3-[(benzylcarbamothioyl)amino]-5-methoxy-1H-indole-2-carboxylate (CAS 489404-92-4), with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol. IUPAC: ethyl 3-(benzylcarbamothioylamino)-5-methoxy-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 3-[(benzylcarbamothioyl)amino]-5-methoxy-1H-indole-2-carboxylate
Property Insights of ethyl 3-[(benzylcarbamothioyl)amino]-5-methoxy-1H-indole-2-carboxylate
The XLogP value of 3.8398 indicates that ethyl 3-[(benzylcarbamothioyl)amino]-5-methoxy-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.38 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-[(benzylcarbamothioyl)amino]-5-methoxy-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-[(benzylcarbamothioyl)amino]-5-methoxy-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 3-[(benzylcarbamothioyl)amino]-5-methoxy-1H-indole-2-carboxylate?
The CAS number of ethyl 3-[(benzylcarbamothioyl)amino]-5-methoxy-1H-indole-2-carboxylate is 489404-92-4.
What is the molecular formula of ethyl 3-[(benzylcarbamothioyl)amino]-5-methoxy-1H-indole-2-carboxylate?
The molecular formula of ethyl 3-[(benzylcarbamothioyl)amino]-5-methoxy-1H-indole-2-carboxylate is C20H21N3O3S.
What is the molecular weight of ethyl 3-[(benzylcarbamothioyl)amino]-5-methoxy-1H-indole-2-carboxylate?
The molecular weight of ethyl 3-[(benzylcarbamothioyl)amino]-5-methoxy-1H-indole-2-carboxylate is 383.13 g/mol.
Where can I buy ethyl 3-[(benzylcarbamothioyl)amino]-5-methoxy-1H-indole-2-carboxylate?
You can request a quote for ethyl 3-[(benzylcarbamothioyl)amino]-5-methoxy-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]-5-methoxy-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-[(benzylcarbamothioyl)amino]-5-methoxy-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.