(S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-3-(4-hydroxyphenyl)propanoic acid
TL;DR: (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-3-(4-hydroxyphenyl)propanoic acid (CAS 956048-57-0) is a chemical compound with molecular formula C28H24N4O6 and molecular weight 512.17 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-(4-hydroxyphenyl)propanoic acid
Also Known As: (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-3-(4-hydroxyphenyl)propanoic acid, N-[(2S)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanoyl]-L-tyrosine, (2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
| Molecular Formula | C28H24N4O6 |
|---|---|
| Molecular Weight | 512.17 g/mol |
| LogP | 2.4726 |
| Topological Polar Surface Area | 157.28 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 512.16956 |
| Heavy Atoms | 38 |
| Complexity | 1766.5922 |
Chemical Identifiers
| CAS Number | 956048-57-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)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-(4-hydroxyphenyl)propanoic acid (CAS 956048-57-0), with molecular formula C28H24N4O6 and molecular weight 512.17 g/mol. IUPAC: (2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic 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-(4-hydroxyphenyl)propanoic acid
Property Insights of (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-3-(4-hydroxyphenyl)propanoic acid
The XLogP value of 2.4726 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-(4-hydroxyphenyl)propanoic acid. The TPSA of 157.28 Ų indicates high polarity, suggesting (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-3-(4-hydroxyphenyl)propanoic acid may have limited membrane permeability but good aqueous solubility. 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-(4-hydroxyphenyl)propanoic acid has 5 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
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-(4-hydroxyphenyl)propanoic 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-(4-hydroxyphenyl)propanoic acid is 956048-57-0.
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-(4-hydroxyphenyl)propanoic 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-(4-hydroxyphenyl)propanoic acid is C28H24N4O6.
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-(4-hydroxyphenyl)propanoic 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-(4-hydroxyphenyl)propanoic acid is 512.17 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-(4-hydroxyphenyl)propanoic 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-(4-hydroxyphenyl)propanoic 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-(4-hydroxyphenyl)propanoic 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-(4-hydroxyphenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.