![methyl 5-methyl-3-[(2-phenylbutanoyl)amino]-1H-indole-2-carboxylate structure](/static/products/840/840516-39-4.png)
methyl 5-methyl-3-[(2-phenylbutanoyl)amino]-1H-indole-2-carboxylate
TL;DR: methyl 5-methyl-3-[(2-phenylbutanoyl)amino]-1H-indole-2-carboxylate (CAS 840516-39-4) is a chemical compound with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-methyl-3-(2-phenylbutanoylamino)-1H-indole-2-carboxylate
Also Known As: methyl 5-methyl-3-(2-phenylbutanoylamino)-1H-indole-2-carboxylate, METHYL 5-METHYL-3-(2-PHENYLBUTANAMIDO)-1H-INDOLE-2-CARBOXYLATE, methyl 5-methyl-3-[(2-phenylbutanoyl)amino]-1H-indole-2-carboxylate
| Molecular Formula | C21H22N2O3 |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 4.39522 |
| Topological Polar Surface Area | 71.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.16306 |
| Heavy Atoms | 26 |
| Complexity | 944.5495 |
Chemical Identifiers
| CAS Number | 840516-39-4 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)C(=O)NC2=C(NC3=C2C=C(C=C3)C)C(=O)OC |
Product Overview
methyl 5-methyl-3-[(2-phenylbutanoyl)amino]-1H-indole-2-carboxylate (CAS 840516-39-4), with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol. IUPAC: methyl 5-methyl-3-(2-phenylbutanoylamino)-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 5-methyl-3-[(2-phenylbutanoyl)amino]-1H-indole-2-carboxylate
Property Insights of methyl 5-methyl-3-[(2-phenylbutanoyl)amino]-1H-indole-2-carboxylate
The XLogP value of 4.39522 indicates that methyl 5-methyl-3-[(2-phenylbutanoyl)amino]-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.19 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-methyl-3-[(2-phenylbutanoyl)amino]-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 5-methyl-3-[(2-phenylbutanoyl)amino]-1H-indole-2-carboxylate has 2 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 methyl 5-methyl-3-[(2-phenylbutanoyl)amino]-1H-indole-2-carboxylate?
The CAS number of methyl 5-methyl-3-[(2-phenylbutanoyl)amino]-1H-indole-2-carboxylate is 840516-39-4.
What is the molecular formula of methyl 5-methyl-3-[(2-phenylbutanoyl)amino]-1H-indole-2-carboxylate?
The molecular formula of methyl 5-methyl-3-[(2-phenylbutanoyl)amino]-1H-indole-2-carboxylate is C21H22N2O3.
What is the molecular weight of methyl 5-methyl-3-[(2-phenylbutanoyl)amino]-1H-indole-2-carboxylate?
The molecular weight of methyl 5-methyl-3-[(2-phenylbutanoyl)amino]-1H-indole-2-carboxylate is 350.16 g/mol.
Where can I buy methyl 5-methyl-3-[(2-phenylbutanoyl)amino]-1H-indole-2-carboxylate?
You can request a quote for methyl 5-methyl-3-[(2-phenylbutanoyl)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 methyl 5-methyl-3-[(2-phenylbutanoyl)amino]-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-methyl-3-[(2-phenylbutanoyl)amino]-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.