(R)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid
TL;DR: (R)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid (CAS 957044-87-0) is a chemical compound with molecular formula C27H22N4O6 and molecular weight 498.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)propanoyl]amino]-2-(4-hydroxyphenyl)acetic acid
Also Known As: (R)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid, (2R)-{[(2S)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanoyl]amino}(4-hydroxyphenyl)ethanoic acid, (2R)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)propanoyl]amino]-2-(4-hydroxyphenyl)acetic acid
| Molecular Formula | C27H22N4O6 |
|---|---|
| Molecular Weight | 498.15 g/mol |
| LogP | 2.6026 |
| Topological Polar Surface Area | 157.28 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.15393 |
| Heavy Atoms | 37 |
| Complexity | 1749.1952 |
Chemical Identifiers
| CAS Number | 957044-87-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N[C@H](C3=CC=C(C=C3)O)C(=O)O)N4C(=O)C5=CC=CC=C5NC4=O |
Product Overview
(R)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid (CAS 957044-87-0), with molecular formula C27H22N4O6 and molecular weight 498.15 g/mol. IUPAC: (2R)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)propanoyl]amino]-2-(4-hydroxyphenyl)acetic acid.
Chemical Property Profile of (R)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid
Property Insights of (R)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid
The XLogP value of 2.6026 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (R)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid. The TPSA of 157.28 Ų indicates high polarity, suggesting (R)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (R)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic 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 (R)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid?
The CAS number of (R)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid is 957044-87-0.
What is the molecular formula of (R)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid?
The molecular formula of (R)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid is C27H22N4O6.
What is the molecular weight of (R)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid?
The molecular weight of (R)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid is 498.15 g/mol.
Where can I buy (R)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid?
You can request a quote for (R)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (R)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (R)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.