(S)-3-hydroxy-2-((S)-2-(1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)propanoic acid
TL;DR: (S)-3-hydroxy-2-((S)-2-(1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)propanoic acid (CAS 956399-02-3) is a chemical compound with molecular formula C21H21N3O6 and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-hydroxy-2-[[(2S)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)-3-phenylpropanoyl]amino]propanoic acid
Also Known As: (S)-3-hydroxy-2-((S)-2-(1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)propanoic acid, (2S)-3-hydroxy-2-[[(2S)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)-3-phenylpropanoyl]amino]propanoic acid, 3-hydroxy-2-[[2-(1-methyl-2,4-dioxo-quinazolin-3-yl)-3-phenyl-propanoyl]amino]propanoic Acid, N-[(2S)-2-(1-methyl-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-3-phenylpropanoyl]-L-serine
| Molecular Formula | C21H21N3O6 |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 0.0457 |
| Topological Polar Surface Area | 130.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.14304 |
| Heavy Atoms | 30 |
| Complexity | 1198.8275 |
Chemical Identifiers
| CAS Number | 956399-02-3 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=O)N(C1=O)[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)O |
Product Overview
(S)-3-hydroxy-2-((S)-2-(1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)propanoic acid (CAS 956399-02-3), with molecular formula C21H21N3O6 and molecular weight 411.14 g/mol. IUPAC: (2S)-3-hydroxy-2-[[(2S)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)-3-phenylpropanoyl]amino]propanoic acid.
Chemical Property Profile of (S)-3-hydroxy-2-((S)-2-(1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)propanoic acid
Property Insights of (S)-3-hydroxy-2-((S)-2-(1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)propanoic acid
The XLogP value of 0.0457 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-hydroxy-2-((S)-2-(1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)propanoic acid. The TPSA of 130.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-hydroxy-2-((S)-2-(1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)propanoic acid. Following Lipinski's Rule of Five, (S)-3-hydroxy-2-((S)-2-(1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)propanoic acid has 3 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)-3-hydroxy-2-((S)-2-(1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)propanoic acid?
The CAS number of (S)-3-hydroxy-2-((S)-2-(1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)propanoic acid is 956399-02-3.
What is the molecular formula of (S)-3-hydroxy-2-((S)-2-(1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)propanoic acid?
The molecular formula of (S)-3-hydroxy-2-((S)-2-(1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)propanoic acid is C21H21N3O6.
What is the molecular weight of (S)-3-hydroxy-2-((S)-2-(1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)propanoic acid?
The molecular weight of (S)-3-hydroxy-2-((S)-2-(1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)propanoic acid is 411.14 g/mol.
Where can I buy (S)-3-hydroxy-2-((S)-2-(1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)propanoic acid?
You can request a quote for (S)-3-hydroxy-2-((S)-2-(1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)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)-3-hydroxy-2-((S)-2-(1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-hydroxy-2-((S)-2-(1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.