2-(2-((3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
TL;DR: 2-(2-((3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid (CAS 1214715-95-3) is a chemical compound with molecular formula C31H27ClN2O7 and molecular weight 574.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3-benzyl-6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
Also Known As: 2-(2-((3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid, 2-(2-((3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid [M+H]+, 2-[2-(3-benzyl-6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid, N-{2-[(3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-5-hydroxytryptophan
| Molecular Formula | C31H27ClN2O7 |
|---|---|
| Molecular Weight | 574.15 g/mol |
| LogP | 5.11192 |
| Topological Polar Surface Area | 141.86 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 574.1507 |
| Heavy Atoms | 41 |
| Complexity | 1827.9395 |
Chemical Identifiers
| CAS Number | 1214715-95-3 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(C)C(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O)CC5=CC=CC=C5 |
Product Overview
2-(2-((3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid (CAS 1214715-95-3), with molecular formula C31H27ClN2O7 and molecular weight 574.15 g/mol. IUPAC: 2-[2-(3-benzyl-6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid.
Chemical Property Profile of 2-(2-((3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
Property Insights of 2-(2-((3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
The XLogP value of 5.11192 indicates that 2-(2-((3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy)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 141.86 Ų indicates high polarity, suggesting 2-(2-((3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy)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-(2-((3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-((3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid?
The CAS number of 2-(2-((3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is 1214715-95-3.
What is the molecular formula of 2-(2-((3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid?
The molecular formula of 2-(2-((3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is C31H27ClN2O7.
What is the molecular weight of 2-(2-((3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid?
The molecular weight of 2-(2-((3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is 574.15 g/mol.
Where can I buy 2-(2-((3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid?
You can request a quote for 2-(2-((3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-((3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-((3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.