![[(1-benzyl-1H-indol-3-yl)methylidene]propanedioic acid structure](/static/products/429/42924-89-0.png)
[(1-benzyl-1H-indol-3-yl)methylidene]propanedioic acid
TL;DR: [(1-benzyl-1H-indol-3-yl)methylidene]propanedioic acid (CAS 42924-89-0) is a chemical compound with molecular formula C19H15NO4 and molecular weight 321.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1-benzylindol-3-yl)methylidene]propanedioic acid
Also Known As: 2-[(1-benzylindol-3-yl)methylidene]propanedioic Acid, 2-((1-benzyl-1H-indol-3-yl)methylene)malonic acid, [(1-benzyl-1H-indol-3-yl)methylidene]propanedioic acid
| Molecular Formula | C19H15NO4 |
|---|---|
| Molecular Weight | 321.10 g/mol |
| LogP | 3.2422 |
| Topological Polar Surface Area | 79.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.1001 |
| Heavy Atoms | 24 |
| Complexity | 922.41504 |
Chemical Identifiers
| CAS Number | 42924-89-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=C(C(=O)O)C(=O)O |
Product Overview
[(1-benzyl-1H-indol-3-yl)methylidene]propanedioic acid (CAS 42924-89-0), with molecular formula C19H15NO4 and molecular weight 321.10 g/mol. IUPAC: 2-[(1-benzylindol-3-yl)methylidene]propanedioic acid.
Chemical Property Profile of [(1-benzyl-1H-indol-3-yl)methylidene]propanedioic acid
Property Insights of [(1-benzyl-1H-indol-3-yl)methylidene]propanedioic acid
The XLogP value of 3.2422 indicates that [(1-benzyl-1H-indol-3-yl)methylidene]propanedioic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.53 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-benzyl-1H-indol-3-yl)methylidene]propanedioic acid. Following Lipinski's Rule of Five, [(1-benzyl-1H-indol-3-yl)methylidene]propanedioic acid has 2 hydrogen bond donor(s) and 2 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 [(1-benzyl-1H-indol-3-yl)methylidene]propanedioic acid?
The CAS number of [(1-benzyl-1H-indol-3-yl)methylidene]propanedioic acid is 42924-89-0.
What is the molecular formula of [(1-benzyl-1H-indol-3-yl)methylidene]propanedioic acid?
The molecular formula of [(1-benzyl-1H-indol-3-yl)methylidene]propanedioic acid is C19H15NO4.
What is the molecular weight of [(1-benzyl-1H-indol-3-yl)methylidene]propanedioic acid?
The molecular weight of [(1-benzyl-1H-indol-3-yl)methylidene]propanedioic acid is 321.10 g/mol.
Where can I buy [(1-benzyl-1H-indol-3-yl)methylidene]propanedioic acid?
You can request a quote for [(1-benzyl-1H-indol-3-yl)methylidene]propanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1-benzyl-1H-indol-3-yl)methylidene]propanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for [(1-benzyl-1H-indol-3-yl)methylidene]propanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.