(S)-4-amino-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-4-oxobutanoic acid
TL;DR: (S)-4-amino-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-4-oxobutanoic acid (CAS 956048-62-7) is a chemical compound with molecular formula C23H21N5O6 and molecular weight 463.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-amino-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoic acid
Also Known As: (S)-4-amino-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-4-oxobutanoic acid, (2S)-4-amino-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoic acid
| Molecular Formula | C23H21N5O6 |
|---|---|
| Molecular Weight | 463.15 g/mol |
| LogP | 0.3997 |
| Topological Polar Surface Area | 180.14 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 463.14917 |
| Heavy Atoms | 34 |
| Complexity | 1532.1814 |
Chemical Identifiers
| CAS Number | 956048-62-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)O)N3C(=O)C4=CC=CC=C4NC3=O |
Product Overview
(S)-4-amino-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-4-oxobutanoic acid (CAS 956048-62-7), with molecular formula C23H21N5O6 and molecular weight 463.15 g/mol. IUPAC: (2S)-4-amino-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoic acid.
Chemical Property Profile of (S)-4-amino-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-4-oxobutanoic acid
Property Insights of (S)-4-amino-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-4-oxobutanoic acid
The XLogP value of 0.3997 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-4-amino-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-4-oxobutanoic acid. The TPSA of 180.14 Ų indicates high polarity, suggesting (S)-4-amino-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-4-oxobutanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (S)-4-amino-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-4-oxobutanoic acid has 5 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)-4-amino-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-4-oxobutanoic acid?
The CAS number of (S)-4-amino-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-4-oxobutanoic acid is 956048-62-7.
What is the molecular formula of (S)-4-amino-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-4-oxobutanoic acid?
The molecular formula of (S)-4-amino-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-4-oxobutanoic acid is C23H21N5O6.
What is the molecular weight of (S)-4-amino-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-4-oxobutanoic acid?
The molecular weight of (S)-4-amino-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-4-oxobutanoic acid is 463.15 g/mol.
Where can I buy (S)-4-amino-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-4-oxobutanoic acid?
You can request a quote for (S)-4-amino-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-4-amino-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-4-amino-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.