(S)-methyl 3-(1H-indol-3-yl)-2-(2-oxo-1,2-dihydroquinoline-4-carboxamido)propanoate
TL;DR: (S)-methyl 3-(1H-indol-3-yl)-2-(2-oxo-1,2-dihydroquinoline-4-carboxamido)propanoate (CAS 1096356-85-2) is a chemical compound with molecular formula C22H19N3O4 and molecular weight 389.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-3-(1H-indol-3-yl)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]propanoate
Also Known As: (S)-methyl 3-(1H-indol-3-yl)-2-(2-oxo-1,2-dihydroquinoline-4-carboxamido)propanoate, methyl (2S)-3-(1H-indol-3-yl)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]propanoate, METHYL 3-(1H-INDOL-3-YL)-2-[(2-OXO-1,2-DIHYDROQUINOLIN-4-YL)FORMAMIDO]PROPANOATE
| Molecular Formula | C22H19N3O4 |
|---|---|
| Molecular Weight | 389.14 g/mol |
| LogP | 2.5235 |
| Topological Polar Surface Area | 104.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.13754 |
| Heavy Atoms | 29 |
| Complexity | 1271.7783 |
Chemical Identifiers
| CAS Number | 1096356-85-2 |
|---|---|
| SMILES | COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC(=O)NC4=CC=CC=C43 |
Product Overview
(S)-methyl 3-(1H-indol-3-yl)-2-(2-oxo-1,2-dihydroquinoline-4-carboxamido)propanoate (CAS 1096356-85-2), with molecular formula C22H19N3O4 and molecular weight 389.14 g/mol. IUPAC: methyl (2S)-3-(1H-indol-3-yl)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]propanoate.
Chemical Property Profile of (S)-methyl 3-(1H-indol-3-yl)-2-(2-oxo-1,2-dihydroquinoline-4-carboxamido)propanoate
Property Insights of (S)-methyl 3-(1H-indol-3-yl)-2-(2-oxo-1,2-dihydroquinoline-4-carboxamido)propanoate
The XLogP value of 2.5235 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 3-(1H-indol-3-yl)-2-(2-oxo-1,2-dihydroquinoline-4-carboxamido)propanoate. The TPSA of 104.05 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 3-(1H-indol-3-yl)-2-(2-oxo-1,2-dihydroquinoline-4-carboxamido)propanoate. Following Lipinski's Rule of Five, (S)-methyl 3-(1H-indol-3-yl)-2-(2-oxo-1,2-dihydroquinoline-4-carboxamido)propanoate has 3 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 (S)-methyl 3-(1H-indol-3-yl)-2-(2-oxo-1,2-dihydroquinoline-4-carboxamido)propanoate?
The CAS number of (S)-methyl 3-(1H-indol-3-yl)-2-(2-oxo-1,2-dihydroquinoline-4-carboxamido)propanoate is 1096356-85-2.
What is the molecular formula of (S)-methyl 3-(1H-indol-3-yl)-2-(2-oxo-1,2-dihydroquinoline-4-carboxamido)propanoate?
The molecular formula of (S)-methyl 3-(1H-indol-3-yl)-2-(2-oxo-1,2-dihydroquinoline-4-carboxamido)propanoate is C22H19N3O4.
What is the molecular weight of (S)-methyl 3-(1H-indol-3-yl)-2-(2-oxo-1,2-dihydroquinoline-4-carboxamido)propanoate?
The molecular weight of (S)-methyl 3-(1H-indol-3-yl)-2-(2-oxo-1,2-dihydroquinoline-4-carboxamido)propanoate is 389.14 g/mol.
Where can I buy (S)-methyl 3-(1H-indol-3-yl)-2-(2-oxo-1,2-dihydroquinoline-4-carboxamido)propanoate?
You can request a quote for (S)-methyl 3-(1H-indol-3-yl)-2-(2-oxo-1,2-dihydroquinoline-4-carboxamido)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-methyl 3-(1H-indol-3-yl)-2-(2-oxo-1,2-dihydroquinoline-4-carboxamido)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 3-(1H-indol-3-yl)-2-(2-oxo-1,2-dihydroquinoline-4-carboxamido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.