![(S)-3-(1H-indol-3-yl)-2-(2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)propanoic acid structure](/static/products/956/956046-36-9.png)
(S)-3-(1H-indol-3-yl)-2-(2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)propanoic acid
TL;DR: (S)-3-(1H-indol-3-yl)-2-(2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)propanoic acid (CAS 956046-36-9) is a chemical compound with molecular formula C29H26N2O6 and molecular weight 498.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-(1H-indol-3-yl)-2-[[2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]propanoic acid
Also Known As: (S)-3-(1H-indol-3-yl)-2-(2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)propanoic acid, (2S)-3-(1H-indol-3-yl)-2-[[2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]propanoic acid, N-[(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]-L-tryptophan
| Molecular Formula | C29H26N2O6 |
|---|---|
| Molecular Weight | 498.18 g/mol |
| LogP | 4.56232 |
| Topological Polar Surface Area | 125.54 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 498.17908 |
| Heavy Atoms | 37 |
| Complexity | 1755.5406 |
Chemical Identifiers
| CAS Number | 956046-36-9 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=CC3=C(C=C12)C4=C(O3)CCCC4)CC(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)O |
Product Overview
(S)-3-(1H-indol-3-yl)-2-(2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)propanoic acid (CAS 956046-36-9), with molecular formula C29H26N2O6 and molecular weight 498.18 g/mol. IUPAC: (2S)-3-(1H-indol-3-yl)-2-[[2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]propanoic acid.
Chemical Property Profile of (S)-3-(1H-indol-3-yl)-2-(2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)propanoic acid
Property Insights of (S)-3-(1H-indol-3-yl)-2-(2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)propanoic acid
The XLogP value of 4.56232 indicates that (S)-3-(1H-indol-3-yl)-2-(2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.54 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-(1H-indol-3-yl)-2-(2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)propanoic acid. Following Lipinski's Rule of Five, (S)-3-(1H-indol-3-yl)-2-(2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)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-(1H-indol-3-yl)-2-(2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)propanoic acid?
The CAS number of (S)-3-(1H-indol-3-yl)-2-(2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)propanoic acid is 956046-36-9.
What is the molecular formula of (S)-3-(1H-indol-3-yl)-2-(2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)propanoic acid?
The molecular formula of (S)-3-(1H-indol-3-yl)-2-(2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)propanoic acid is C29H26N2O6.
What is the molecular weight of (S)-3-(1H-indol-3-yl)-2-(2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)propanoic acid?
The molecular weight of (S)-3-(1H-indol-3-yl)-2-(2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)propanoic acid is 498.18 g/mol.
Where can I buy (S)-3-(1H-indol-3-yl)-2-(2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)propanoic acid?
You can request a quote for (S)-3-(1H-indol-3-yl)-2-(2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)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-(1H-indol-3-yl)-2-(2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-(1H-indol-3-yl)-2-(2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.