(S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-3-(4-hydroxyphenyl)propanoic acid
TL;DR: (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-3-(4-hydroxyphenyl)propanoic acid (CAS 956048-63-8) is a chemical compound with molecular formula C26H23N3O6 and molecular weight 473.16 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-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Also Known As: (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-3-(4-hydroxyphenyl)propanoic acid, N-[(2S)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-3-phenylpropanoyl]-L-tyrosine, (2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
| Molecular Formula | C26H23N3O6 |
|---|---|
| Molecular Weight | 473.16 g/mol |
| LogP | 1.9913 |
| Topological Polar Surface Area | 141.49 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 473.1587 |
| Heavy Atoms | 35 |
| Complexity | 1475.2418 |
Chemical Identifiers
| CAS Number | 956048-63-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O)N3C(=O)C4=CC=CC=C4NC3=O |
Product Overview
(S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-3-(4-hydroxyphenyl)propanoic acid (CAS 956048-63-8), with molecular formula C26H23N3O6 and molecular weight 473.16 g/mol. IUPAC: (2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid.
Chemical Property Profile of (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-3-(4-hydroxyphenyl)propanoic acid
Property Insights of (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-3-(4-hydroxyphenyl)propanoic acid
The XLogP value of 1.9913 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-3-(4-hydroxyphenyl)propanoic acid. The TPSA of 141.49 Ų indicates high polarity, suggesting (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-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-phenylpropanamido)-3-(4-hydroxyphenyl)propanoic acid has 4 hydrogen bond donor(s) and 5 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-phenylpropanamido)-3-(4-hydroxyphenyl)propanoic acid?
The CAS number of (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-3-(4-hydroxyphenyl)propanoic acid is 956048-63-8.
What is the molecular formula of (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-3-(4-hydroxyphenyl)propanoic acid?
The molecular formula of (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-3-(4-hydroxyphenyl)propanoic acid is C26H23N3O6.
What is the molecular weight of (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-3-(4-hydroxyphenyl)propanoic acid?
The molecular weight of (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-3-(4-hydroxyphenyl)propanoic acid is 473.16 g/mol.
Where can I buy (S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-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-phenylpropanamido)-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-phenylpropanamido)-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-phenylpropanamido)-3-(4-hydroxyphenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.