2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl 4-methoxybenzoate
TL;DR: 2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl 4-methoxybenzoate (CAS 384802-54-4) is a chemical compound with molecular formula C20H19NO4 and molecular weight 337.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,3-dimethylindol-1-yl)-2-oxoethyl] 4-methoxybenzoate
Also Known As: ChemDiv3_004663, BAS 03450490, 2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl 4-methoxybenzoate, IDI1_022573, AJ-292/40930690
| Molecular Formula | C20H19NO4 |
|---|---|
| Molecular Weight | 337.13 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.1314 |
| Heavy Atoms | 25 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 384802-54-4 |
|---|---|
| SMILES | CC1=C(N(C2=CC=CC=C12)C(=O)COC(=O)C3=CC=C(C=C3)OC)C |
| InChIKey | HAFKZJYUGLKASQ-UHFFFAOYSA-N |
Product Overview
2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl 4-methoxybenzoate (CAS 384802-54-4), with molecular formula C20H19NO4 and molecular weight 337.13 g/mol. IUPAC: [2-(2,3-dimethylindol-1-yl)-2-oxoethyl] 4-methoxybenzoate.
Chemical Property Profile of 2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl 4-methoxybenzoate
Property Insights of 2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl 4-methoxybenzoate
The XLogP value of 4.2 indicates that 2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl 4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl 4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl 4-methoxybenzoate has 0 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-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl 4-methoxybenzoate?
The CAS number of 2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl 4-methoxybenzoate is 384802-54-4.
What is the molecular formula of 2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl 4-methoxybenzoate?
The molecular formula of 2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl 4-methoxybenzoate is C20H19NO4.
What is the molecular weight of 2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl 4-methoxybenzoate?
The molecular weight of 2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl 4-methoxybenzoate is 337.13 g/mol.
Where can I buy 2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl 4-methoxybenzoate?
You can request a quote for 2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl 4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.