(S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-3-phenylpropanoic acid
TL;DR: (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-3-phenylpropanoic acid (CAS 956683-89-9) is a chemical compound with molecular formula C28H24N4O5 and molecular weight 496.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoic acid
Also Known As: (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-3-phenylpropanoic acid, (2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoic acid, N-[(2S)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanoyl]-L-phenylalanine
| Molecular Formula | C28H24N4O5 |
|---|---|
| Molecular Weight | 496.17 g/mol |
| LogP | 2.767 |
| Topological Polar Surface Area | 137.05 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.17468 |
| Heavy Atoms | 37 |
| Complexity | 1717.794 |
Chemical Identifiers
| CAS Number | 956683-89-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)N4C(=O)C5=CC=CC=C5NC4=O |
Product Overview
(S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-3-phenylpropanoic acid (CAS 956683-89-9), with molecular formula C28H24N4O5 and molecular weight 496.17 g/mol. IUPAC: (2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoic acid.
Chemical Property Profile of (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-3-phenylpropanoic acid
Property Insights of (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-3-phenylpropanoic acid
The XLogP value of 2.767 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-3-phenylpropanoic acid. The TPSA of 137.05 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-3-phenylpropanoic acid. Following Lipinski's Rule of Five, (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-3-phenylpropanoic acid has 4 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)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-3-phenylpropanoic acid?
The CAS number of (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-3-phenylpropanoic acid is 956683-89-9.
What is the molecular formula of (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-3-phenylpropanoic acid?
The molecular formula of (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-3-phenylpropanoic acid is C28H24N4O5.
What is the molecular weight of (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-3-phenylpropanoic acid?
The molecular weight of (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-3-phenylpropanoic acid is 496.17 g/mol.
Where can I buy (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-3-phenylpropanoic acid?
You can request a quote for (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-3-phenylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-3-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.