![Methyl 5-chloro-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-1H-indole-2-carboxylate structure](/static/products/797/797795-85-8.png)
Methyl 5-chloro-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-1H-indole-2-carboxylate
TL;DR: Methyl 5-chloro-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-1H-indole-2-carboxylate (CAS 797795-85-8) is a chemical compound with molecular formula C22H22ClN3O3 and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-chloro-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-1H-indole-2-carboxylate
Also Known As: Methyl 5-chloro-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-1H-indole-2-carboxylate, methyl 5-chloro-3-(3-(3,4-dihydroisoquinolin-2(1H)-yl)propanamido)-1H-indole-2-carboxylate, methyl 5-chloro-3-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propanoyl]amino}-1H-indole-2-carboxylate
| Molecular Formula | C22H22ClN3O3 |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 3.9948 |
| Topological Polar Surface Area | 74.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.13498 |
| Heavy Atoms | 29 |
| Complexity | 1076.3497 |
Chemical Identifiers
| CAS Number | 797795-85-8 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)CCN3CCC4=CC=CC=C4C3 |
Product Overview
Methyl 5-chloro-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-1H-indole-2-carboxylate (CAS 797795-85-8), with molecular formula C22H22ClN3O3 and molecular weight 411.13 g/mol. IUPAC: methyl 5-chloro-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-1H-indole-2-carboxylate.
Chemical Property Profile of Methyl 5-chloro-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-1H-indole-2-carboxylate
Property Insights of Methyl 5-chloro-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-1H-indole-2-carboxylate
The XLogP value of 3.9948 indicates that Methyl 5-chloro-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-chloro-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, Methyl 5-chloro-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-1H-indole-2-carboxylate has 2 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-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-1H-indole-2-carboxylate?
The CAS number of Methyl 5-chloro-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-1H-indole-2-carboxylate is 797795-85-8.
What is the molecular formula of Methyl 5-chloro-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-1H-indole-2-carboxylate?
The molecular formula of Methyl 5-chloro-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-1H-indole-2-carboxylate is C22H22ClN3O3.
What is the molecular weight of Methyl 5-chloro-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-1H-indole-2-carboxylate?
The molecular weight of Methyl 5-chloro-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-1H-indole-2-carboxylate is 411.13 g/mol.
Where can I buy Methyl 5-chloro-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-1H-indole-2-carboxylate?
You can request a quote for Methyl 5-chloro-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-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-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-chloro-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.