2-(Acetylamino)-2-((5-methoxy-1H-indol-3-yl)methyl)propanedioic acid
TL;DR: 2-(Acetylamino)-2-((5-methoxy-1H-indol-3-yl)methyl)propanedioic acid (CAS 54744-68-2) is a chemical compound with molecular formula C15H16N2O6 and molecular weight 320.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-2-[(5-methoxy-1H-indol-3-yl)methyl]propanedioic acid
Also Known As: Propanedioic acid, (acetylamino)((5-methoxy-1H-indol-3-yl)methyl)-, 5-22-14-00323 (Beilstein Handbook Reference), (Acetylamino)((5-methoxy-1H-indol-3-yl)methyl)propanedioic acid, Acetamido[(5-methoxy-1H-indol-3-yl)methyl]propanedioic acid, 2-acetamido-2-[(5-methoxy-1H-indol-3-yl)methyl]propanedioic acid
| Molecular Formula | C15H16N2O6 |
|---|---|
| Molecular Weight | 320.10 g/mol |
| LogP | 0.7631 |
| Topological Polar Surface Area | 128.72 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.10083 |
| Heavy Atoms | 23 |
| Complexity | 765.3651 |
Chemical Identifiers
| CAS Number | 54744-68-2 |
|---|---|
| SMILES | CC(=O)NC(CC1=CNC2=C1C=C(C=C2)OC)(C(=O)O)C(=O)O |
Product Overview
2-(Acetylamino)-2-((5-methoxy-1H-indol-3-yl)methyl)propanedioic acid (CAS 54744-68-2), with molecular formula C15H16N2O6 and molecular weight 320.10 g/mol. IUPAC: 2-acetamido-2-[(5-methoxy-1H-indol-3-yl)methyl]propanedioic acid.
Chemical Property Profile of 2-(Acetylamino)-2-((5-methoxy-1H-indol-3-yl)methyl)propanedioic acid
Property Insights of 2-(Acetylamino)-2-((5-methoxy-1H-indol-3-yl)methyl)propanedioic acid
The XLogP value of 0.7631 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Acetylamino)-2-((5-methoxy-1H-indol-3-yl)methyl)propanedioic acid. The TPSA of 128.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Acetylamino)-2-((5-methoxy-1H-indol-3-yl)methyl)propanedioic acid. Following Lipinski's Rule of Five, 2-(Acetylamino)-2-((5-methoxy-1H-indol-3-yl)methyl)propanedioic acid has 4 hydrogen bond donor(s) and 4 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 2-(Acetylamino)-2-((5-methoxy-1H-indol-3-yl)methyl)propanedioic acid?
The CAS number of 2-(Acetylamino)-2-((5-methoxy-1H-indol-3-yl)methyl)propanedioic acid is 54744-68-2.
What is the molecular formula of 2-(Acetylamino)-2-((5-methoxy-1H-indol-3-yl)methyl)propanedioic acid?
The molecular formula of 2-(Acetylamino)-2-((5-methoxy-1H-indol-3-yl)methyl)propanedioic acid is C15H16N2O6.
What is the molecular weight of 2-(Acetylamino)-2-((5-methoxy-1H-indol-3-yl)methyl)propanedioic acid?
The molecular weight of 2-(Acetylamino)-2-((5-methoxy-1H-indol-3-yl)methyl)propanedioic acid is 320.10 g/mol.
Where can I buy 2-(Acetylamino)-2-((5-methoxy-1H-indol-3-yl)methyl)propanedioic acid?
You can request a quote for 2-(Acetylamino)-2-((5-methoxy-1H-indol-3-yl)methyl)propanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Acetylamino)-2-((5-methoxy-1H-indol-3-yl)methyl)propanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetylamino)-2-((5-methoxy-1H-indol-3-yl)methyl)propanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.