![methyl 4-{[(2-methyl-1H-indol-3-yl)methylene]amino}benzoate structure](/static/products/314/314766-93-3.png)
methyl 4-{[(2-methyl-1H-indol-3-yl)methylene]amino}benzoate
TL;DR: methyl 4-{[(2-methyl-1H-indol-3-yl)methylene]amino}benzoate (CAS 314766-93-3) is a chemical compound with molecular formula C18H16N2O2 and molecular weight 292.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2-methyl-1H-indol-3-yl)methylideneamino]benzoate
Also Known As: methyl 4-{[(2-methyl-1H-indol-3-yl)methylene]amino}benzoate, AN-329/40370973, methyl 4-[(2-methylindol-3-ylidene)methylamino]benzoate, methyl 4-[(1E)-2-(2-methylindol-3-yl)-1-azavinyl]benzoate, methyl 4-[(2-methyl-1H-indol-3-yl)methylideneamino]benzoate
| Molecular Formula | C18H16N2O2 |
|---|---|
| Molecular Weight | 292.12 g/mol |
| LogP | 4.01352 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.1212 |
| Heavy Atoms | 22 |
| Complexity | 845.1546 |
Chemical Identifiers
| CAS Number | 314766-93-3 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)C=NC3=CC=C(C=C3)C(=O)OC |
Product Overview
methyl 4-{[(2-methyl-1H-indol-3-yl)methylene]amino}benzoate (CAS 314766-93-3), with molecular formula C18H16N2O2 and molecular weight 292.12 g/mol. IUPAC: methyl 4-[(2-methyl-1H-indol-3-yl)methylideneamino]benzoate.
Chemical Property Profile of methyl 4-{[(2-methyl-1H-indol-3-yl)methylene]amino}benzoate
Property Insights of methyl 4-{[(2-methyl-1H-indol-3-yl)methylene]amino}benzoate
The XLogP value of 4.01352 indicates that methyl 4-{[(2-methyl-1H-indol-3-yl)methylene]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.45 Ų, methyl 4-{[(2-methyl-1H-indol-3-yl)methylene]amino}benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-{[(2-methyl-1H-indol-3-yl)methylene]amino}benzoate has 1 hydrogen bond donor(s) and 3 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 4-{[(2-methyl-1H-indol-3-yl)methylene]amino}benzoate?
The CAS number of methyl 4-{[(2-methyl-1H-indol-3-yl)methylene]amino}benzoate is 314766-93-3.
What is the molecular formula of methyl 4-{[(2-methyl-1H-indol-3-yl)methylene]amino}benzoate?
The molecular formula of methyl 4-{[(2-methyl-1H-indol-3-yl)methylene]amino}benzoate is C18H16N2O2.
What is the molecular weight of methyl 4-{[(2-methyl-1H-indol-3-yl)methylene]amino}benzoate?
The molecular weight of methyl 4-{[(2-methyl-1H-indol-3-yl)methylene]amino}benzoate is 292.12 g/mol.
Where can I buy methyl 4-{[(2-methyl-1H-indol-3-yl)methylene]amino}benzoate?
You can request a quote for methyl 4-{[(2-methyl-1H-indol-3-yl)methylene]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-{[(2-methyl-1H-indol-3-yl)methylene]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{[(2-methyl-1H-indol-3-yl)methylene]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.