![(S)-3-(1H-indol-3-yl)-2-(2-((4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)propanoic acid structure](/static/products/956/956181-31-0.png)
(S)-3-(1H-indol-3-yl)-2-(2-((4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)propanoic acid
TL;DR: (S)-3-(1H-indol-3-yl)-2-(2-((4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)propanoic acid (CAS 956181-31-0) is a chemical compound with molecular formula C25H22N2O6 and molecular weight 446.15 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-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]propanoic acid
Also Known As: (S)-3-(1H-indol-3-yl)-2-(2-((4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)propanoic acid, (2S)-3-(1H-indol-3-yl)-2-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]propanoic acid
| Molecular Formula | C25H22N2O6 |
|---|---|
| Molecular Weight | 446.15 g/mol |
| LogP | 2.9539 |
| Topological Polar Surface Area | 121.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.1478 |
| Heavy Atoms | 33 |
| Complexity | 1434.1329 |
Chemical Identifiers
| CAS Number | 956181-31-0 |
|---|---|
| SMILES | C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OCC(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)O |
Product Overview
(S)-3-(1H-indol-3-yl)-2-(2-((4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)propanoic acid (CAS 956181-31-0), with molecular formula C25H22N2O6 and molecular weight 446.15 g/mol. IUPAC: (2S)-3-(1H-indol-3-yl)-2-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]propanoic acid.
Chemical Property Profile of (S)-3-(1H-indol-3-yl)-2-(2-((4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)propanoic acid
Property Insights of (S)-3-(1H-indol-3-yl)-2-(2-((4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)propanoic acid
The XLogP value of 2.9539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-(1H-indol-3-yl)-2-(2-((4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)propanoic acid. The TPSA of 121.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-(1H-indol-3-yl)-2-(2-((4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)propanoic acid. Following Lipinski's Rule of Five, (S)-3-(1H-indol-3-yl)-2-(2-((4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)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-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)propanoic acid?
The CAS number of (S)-3-(1H-indol-3-yl)-2-(2-((4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)propanoic acid is 956181-31-0.
What is the molecular formula of (S)-3-(1H-indol-3-yl)-2-(2-((4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)propanoic acid?
The molecular formula of (S)-3-(1H-indol-3-yl)-2-(2-((4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)propanoic acid is C25H22N2O6.
What is the molecular weight of (S)-3-(1H-indol-3-yl)-2-(2-((4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)propanoic acid?
The molecular weight of (S)-3-(1H-indol-3-yl)-2-(2-((4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)propanoic acid is 446.15 g/mol.
Where can I buy (S)-3-(1H-indol-3-yl)-2-(2-((4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)propanoic acid?
You can request a quote for (S)-3-(1H-indol-3-yl)-2-(2-((4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)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-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-(1H-indol-3-yl)-2-(2-((4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.