![ethyl 3-[(butylcarbamoyl)amino]-5-chloro-1H-indole-2-carboxylate structure](/static/products/496/496797-96-7.png)
ethyl 3-[(butylcarbamoyl)amino]-5-chloro-1H-indole-2-carboxylate
TL;DR: ethyl 3-[(butylcarbamoyl)amino]-5-chloro-1H-indole-2-carboxylate (CAS 496797-96-7) is a chemical compound with molecular formula C16H20ClN3O3 and molecular weight 337.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(butylcarbamoylamino)-5-chloro-1H-indole-2-carboxylate
Also Known As: ethyl 3-(3-butylureido)-5-chloro-1H-indole-2-carboxylate, ethyl 3-(butylcarbamoylamino)-5-chloro-1H-indole-2-carboxylate, ethyl 3-[(butylcarbamoyl)amino]-5-chloro-1H-indole-2-carboxylate
| Molecular Formula | C16H20ClN3O3 |
|---|---|
| Molecular Weight | 337.12 g/mol |
| LogP | 3.9196 |
| Topological Polar Surface Area | 83.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.11932 |
| Heavy Atoms | 23 |
| Complexity | 711.9035 |
Chemical Identifiers
| CAS Number | 496797-96-7 |
|---|---|
| SMILES | CCCCNC(=O)NC1=C(NC2=C1C=C(C=C2)Cl)C(=O)OCC |
Product Overview
ethyl 3-[(butylcarbamoyl)amino]-5-chloro-1H-indole-2-carboxylate (CAS 496797-96-7), with molecular formula C16H20ClN3O3 and molecular weight 337.12 g/mol. IUPAC: ethyl 3-(butylcarbamoylamino)-5-chloro-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 3-[(butylcarbamoyl)amino]-5-chloro-1H-indole-2-carboxylate
Property Insights of ethyl 3-[(butylcarbamoyl)amino]-5-chloro-1H-indole-2-carboxylate
The XLogP value of 3.9196 indicates that ethyl 3-[(butylcarbamoyl)amino]-5-chloro-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-[(butylcarbamoyl)amino]-5-chloro-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-[(butylcarbamoyl)amino]-5-chloro-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-[(butylcarbamoyl)amino]-5-chloro-1H-indole-2-carboxylate?
The CAS number of ethyl 3-[(butylcarbamoyl)amino]-5-chloro-1H-indole-2-carboxylate is 496797-96-7.
What is the molecular formula of ethyl 3-[(butylcarbamoyl)amino]-5-chloro-1H-indole-2-carboxylate?
The molecular formula of ethyl 3-[(butylcarbamoyl)amino]-5-chloro-1H-indole-2-carboxylate is C16H20ClN3O3.
What is the molecular weight of ethyl 3-[(butylcarbamoyl)amino]-5-chloro-1H-indole-2-carboxylate?
The molecular weight of ethyl 3-[(butylcarbamoyl)amino]-5-chloro-1H-indole-2-carboxylate is 337.12 g/mol.
Where can I buy ethyl 3-[(butylcarbamoyl)amino]-5-chloro-1H-indole-2-carboxylate?
You can request a quote for ethyl 3-[(butylcarbamoyl)amino]-5-chloro-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-[(butylcarbamoyl)amino]-5-chloro-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-[(butylcarbamoyl)amino]-5-chloro-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.