Methyl 2-(2-(3-formyl-1H-indol-1-yl)acetamido)benzoate
TL;DR: Methyl 2-(2-(3-formyl-1H-indol-1-yl)acetamido)benzoate (CAS 90532-85-7) is a chemical compound with molecular formula C19H16N2O4 and molecular weight 336.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(3-formylindol-1-yl)acetyl]amino]benzoate
Also Known As: Methyl 2-(2-(3-formyl-1H-indol-1-yl)acetamido)benzoate, methyl 2-[[2-(3-formylindol-1-yl)acetyl]amino]benzoate, methyl 2-[2-(3-formyl-1H-indol-1-yl)acetamido]benzoate, Methyl2-(2-(3-formyl-1H-indol-1-yl)acetamido)benzoate, N1-(3-Aminopropyl)pentane-1,5-diamine trihydrochloride
| Molecular Formula | C19H16N2O4 |
|---|---|
| Molecular Weight | 336.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.111 |
| Heavy Atoms | 25 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 90532-85-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CN2C=C(C3=CC=CC=C32)C=O |
| InChIKey | WQPXEFKESXUPCC-UHFFFAOYSA-N |
Product Overview
Methyl 2-(2-(3-formyl-1H-indol-1-yl)acetamido)benzoate (CAS 90532-85-7), with molecular formula C19H16N2O4 and molecular weight 336.11 g/mol. IUPAC: methyl 2-[[2-(3-formylindol-1-yl)acetyl]amino]benzoate.
Chemical Property Profile of Methyl 2-(2-(3-formyl-1H-indol-1-yl)acetamido)benzoate
Property Insights of Methyl 2-(2-(3-formyl-1H-indol-1-yl)acetamido)benzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(2-(3-formyl-1H-indol-1-yl)acetamido)benzoate. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(2-(3-formyl-1H-indol-1-yl)acetamido)benzoate. Following Lipinski's Rule of Five, Methyl 2-(2-(3-formyl-1H-indol-1-yl)acetamido)benzoate has 1 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 Methyl 2-(2-(3-formyl-1H-indol-1-yl)acetamido)benzoate?
The CAS number of Methyl 2-(2-(3-formyl-1H-indol-1-yl)acetamido)benzoate is 90532-85-7.
What is the molecular formula of Methyl 2-(2-(3-formyl-1H-indol-1-yl)acetamido)benzoate?
The molecular formula of Methyl 2-(2-(3-formyl-1H-indol-1-yl)acetamido)benzoate is C19H16N2O4.
What is the molecular weight of Methyl 2-(2-(3-formyl-1H-indol-1-yl)acetamido)benzoate?
The molecular weight of Methyl 2-(2-(3-formyl-1H-indol-1-yl)acetamido)benzoate is 336.11 g/mol.
Where can I buy Methyl 2-(2-(3-formyl-1H-indol-1-yl)acetamido)benzoate?
You can request a quote for Methyl 2-(2-(3-formyl-1H-indol-1-yl)acetamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(2-(3-formyl-1H-indol-1-yl)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(2-(3-formyl-1H-indol-1-yl)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.