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2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid structure
Fine Chemical

2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid

TL;DR: 2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid (CAS 1214805-02-3) is a chemical compound with molecular formula C31H30N2O7 and molecular weight 542.2053 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid

Also Known As: 2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid, 2-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid, N-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]-5-hydroxytryptophan

CAS Number
1214805-02-3
Molecular Formula
C31H30N2O7
Molecular Weight
542.2053 g/mol
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Technical Specifications

Molecular FormulaC31H30N2O7
Molecular Weight542.2053 g/mol
XLogP4.7
Topological Polar Surface Area (TPSA)142.0 Ų
Hydrogen Bond Donors4
Hydrogen Bond Acceptors7
Rotatable Bonds7
Exact Mass542.2053 Da
Heavy Atoms40
Complexity1040.0
SMILESCC1=C(C(=O)OC2=C(C3=C(C=C12)C4=C(O3)CCCC4)C)CCC(=O)NC(CC5=CNC6=C5C=C(C=C6)O)C(=O)O
InChIKeyQRBQNYPWJFKFAB-UHFFFAOYSA-N

Chemical Property Profile of 2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid

XLogP
4.7
TPSA (Topological Polar Surface Area)
142.0
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
7
Rotatable Bonds
7
Heavy Atoms
40
Complexity
1040.0
Exact Mass
542.2053
Monoisotopic Mass
542.2053
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid

The XLogP value of 4.7 indicates that 2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting 2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid?

The CAS number of 2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is 1214805-02-3.

What is the molecular formula of 2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid?

The molecular formula of 2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is C31H30N2O7.

What is the molecular weight of 2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid?

The molecular weight of 2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is 542.2053 g/mol.

Where can I buy 2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid?

You can request a quote for 2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid?

Yes, CoreyChem provides custom synthesis services for 2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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