methyl 5-chloro-3-(2-(3,3-dimethylpiperidin-1-yl)-N-methylpropanamido)-1H-indole-2-carboxylate
TL;DR: methyl 5-chloro-3-(2-(3,3-dimethylpiperidin-1-yl)-N-methylpropanamido)-1H-indole-2-carboxylate (CAS 459783-78-9) is a chemical compound with molecular formula C21H28ClN3O3 and molecular weight 405.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-chloro-3-[2-(3,3-dimethylpiperidin-1-yl)propanoyl-methylamino]-1H-indole-2-carboxylate
Also Known As: methyl 5-chloro-3-(2-(3,3-dimethylpiperidin-1-yl)-N-methylpropanamido)-1H-indole-2-carboxylate, Methyl 5-chloro-3-[2-(3,3-dimethyl-1-piperidyl)propanoyl-methyl-amino]-1H-indole-2-carboxylate, methyl 5-chloro-3-[2-(3,3-dimethylpiperidin-1-yl)propanoyl-methylamino]-1H-indole-2-carboxylate, methyl 5-chloro-3-{[2-(3,3-dimethylpiperidin-1-yl)propanoyl](methyl)amino}-1H-indole-2-carboxylate
| Molecular Formula | C21H28ClN3O3 |
|---|---|
| Molecular Weight | 405.18 g/mol |
| LogP | 4.0812 |
| Topological Polar Surface Area | 65.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.18192 |
| Heavy Atoms | 28 |
| Complexity | 905.67804 |
Chemical Identifiers
| CAS Number | 459783-78-9 |
|---|---|
| SMILES | CC(C(=O)N(C)C1=C(NC2=C1C=C(C=C2)Cl)C(=O)OC)N3CCCC(C3)(C)C |
Product Overview
methyl 5-chloro-3-(2-(3,3-dimethylpiperidin-1-yl)-N-methylpropanamido)-1H-indole-2-carboxylate (CAS 459783-78-9), with molecular formula C21H28ClN3O3 and molecular weight 405.18 g/mol. IUPAC: methyl 5-chloro-3-[2-(3,3-dimethylpiperidin-1-yl)propanoyl-methylamino]-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 5-chloro-3-(2-(3,3-dimethylpiperidin-1-yl)-N-methylpropanamido)-1H-indole-2-carboxylate
Property Insights of methyl 5-chloro-3-(2-(3,3-dimethylpiperidin-1-yl)-N-methylpropanamido)-1H-indole-2-carboxylate
The XLogP value of 4.0812 indicates that methyl 5-chloro-3-(2-(3,3-dimethylpiperidin-1-yl)-N-methylpropanamido)-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.64 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-chloro-3-(2-(3,3-dimethylpiperidin-1-yl)-N-methylpropanamido)-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 5-chloro-3-(2-(3,3-dimethylpiperidin-1-yl)-N-methylpropanamido)-1H-indole-2-carboxylate has 1 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 methyl 5-chloro-3-(2-(3,3-dimethylpiperidin-1-yl)-N-methylpropanamido)-1H-indole-2-carboxylate?
The CAS number of methyl 5-chloro-3-(2-(3,3-dimethylpiperidin-1-yl)-N-methylpropanamido)-1H-indole-2-carboxylate is 459783-78-9.
What is the molecular formula of methyl 5-chloro-3-(2-(3,3-dimethylpiperidin-1-yl)-N-methylpropanamido)-1H-indole-2-carboxylate?
The molecular formula of methyl 5-chloro-3-(2-(3,3-dimethylpiperidin-1-yl)-N-methylpropanamido)-1H-indole-2-carboxylate is C21H28ClN3O3.
What is the molecular weight of methyl 5-chloro-3-(2-(3,3-dimethylpiperidin-1-yl)-N-methylpropanamido)-1H-indole-2-carboxylate?
The molecular weight of methyl 5-chloro-3-(2-(3,3-dimethylpiperidin-1-yl)-N-methylpropanamido)-1H-indole-2-carboxylate is 405.18 g/mol.
Where can I buy methyl 5-chloro-3-(2-(3,3-dimethylpiperidin-1-yl)-N-methylpropanamido)-1H-indole-2-carboxylate?
You can request a quote for methyl 5-chloro-3-(2-(3,3-dimethylpiperidin-1-yl)-N-methylpropanamido)-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-chloro-3-(2-(3,3-dimethylpiperidin-1-yl)-N-methylpropanamido)-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-chloro-3-(2-(3,3-dimethylpiperidin-1-yl)-N-methylpropanamido)-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.