methyl 3-(2-(4-(ethoxycarbonyl)piperidin-1-yl)acetamido)-4-methyl-1H-indole-2-carboxylate
TL;DR: methyl 3-(2-(4-(ethoxycarbonyl)piperidin-1-yl)acetamido)-4-methyl-1H-indole-2-carboxylate (CAS 861111-01-5) is a chemical compound with molecular formula C21H27N3O5 and molecular weight 401.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]-4-methyl-1H-indole-2-carboxylate
Also Known As: methyl 3-(2-(4-(ethoxycarbonyl)piperidin-1-yl)acetamido)-4-methyl-1H-indole-2-carboxylate, methyl 3-({[4-(ethoxycarbonyl)piperidin-1-yl]acetyl}amino)-4-methyl-1H-indole-2-carboxylate, methyl 3-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]-4-methyl-1H-indole-2-carboxylate
| Molecular Formula | C21H27N3O5 |
|---|---|
| Molecular Weight | 401.20 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.19507 |
| Heavy Atoms | 29 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 861111-01-5 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)CC(=O)NC2=C(NC3=CC=CC(=C32)C)C(=O)OC |
| InChIKey | WDEFPDMYQXQTHY-UHFFFAOYSA-N |
Product Overview
methyl 3-(2-(4-(ethoxycarbonyl)piperidin-1-yl)acetamido)-4-methyl-1H-indole-2-carboxylate (CAS 861111-01-5), with molecular formula C21H27N3O5 and molecular weight 401.20 g/mol. IUPAC: methyl 3-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]-4-methyl-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 3-(2-(4-(ethoxycarbonyl)piperidin-1-yl)acetamido)-4-methyl-1H-indole-2-carboxylate
Property Insights of methyl 3-(2-(4-(ethoxycarbonyl)piperidin-1-yl)acetamido)-4-methyl-1H-indole-2-carboxylate
The XLogP value of 3.1 indicates that methyl 3-(2-(4-(ethoxycarbonyl)piperidin-1-yl)acetamido)-4-methyl-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(2-(4-(ethoxycarbonyl)piperidin-1-yl)acetamido)-4-methyl-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-(2-(4-(ethoxycarbonyl)piperidin-1-yl)acetamido)-4-methyl-1H-indole-2-carboxylate has 2 hydrogen bond donor(s) and 6 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 3-(2-(4-(ethoxycarbonyl)piperidin-1-yl)acetamido)-4-methyl-1H-indole-2-carboxylate?
The CAS number of methyl 3-(2-(4-(ethoxycarbonyl)piperidin-1-yl)acetamido)-4-methyl-1H-indole-2-carboxylate is 861111-01-5.
What is the molecular formula of methyl 3-(2-(4-(ethoxycarbonyl)piperidin-1-yl)acetamido)-4-methyl-1H-indole-2-carboxylate?
The molecular formula of methyl 3-(2-(4-(ethoxycarbonyl)piperidin-1-yl)acetamido)-4-methyl-1H-indole-2-carboxylate is C21H27N3O5.
What is the molecular weight of methyl 3-(2-(4-(ethoxycarbonyl)piperidin-1-yl)acetamido)-4-methyl-1H-indole-2-carboxylate?
The molecular weight of methyl 3-(2-(4-(ethoxycarbonyl)piperidin-1-yl)acetamido)-4-methyl-1H-indole-2-carboxylate is 401.20 g/mol.
Where can I buy methyl 3-(2-(4-(ethoxycarbonyl)piperidin-1-yl)acetamido)-4-methyl-1H-indole-2-carboxylate?
You can request a quote for methyl 3-(2-(4-(ethoxycarbonyl)piperidin-1-yl)acetamido)-4-methyl-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 3-(2-(4-(ethoxycarbonyl)piperidin-1-yl)acetamido)-4-methyl-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(2-(4-(ethoxycarbonyl)piperidin-1-yl)acetamido)-4-methyl-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.