2-acetyl-1-methyl-1H-indol-3-yl 4-methylbenzoate
TL;DR: 2-acetyl-1-methyl-1H-indol-3-yl 4-methylbenzoate (CAS 380643-29-8) is a chemical compound with molecular formula C19H17NO3 and molecular weight 307.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyl-1-methylindol-3-yl) 4-methylbenzoate
Also Known As: BAS 06105469, 2-acetyl-1-methyl-1H-indol-3-yl 4-methylbenzoate, VU0047579-1, (2-acetyl-1-methylindol-3-yl) 4-methylbenzoate, 4-Methyl-benzoic acid 2-acetyl-1-methyl-1H-indol-3-yl ester
| Molecular Formula | C19H17NO3 |
|---|---|
| Molecular Weight | 307.12 g/mol |
| LogP | 3.90852 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.12085 |
| Heavy Atoms | 23 |
| Complexity | 904.25946 |
Chemical Identifiers
| CAS Number | 380643-29-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=C(N(C3=CC=CC=C32)C)C(=O)C |
Product Overview
2-acetyl-1-methyl-1H-indol-3-yl 4-methylbenzoate (CAS 380643-29-8), with molecular formula C19H17NO3 and molecular weight 307.12 g/mol. IUPAC: (2-acetyl-1-methylindol-3-yl) 4-methylbenzoate.
Chemical Property Profile of 2-acetyl-1-methyl-1H-indol-3-yl 4-methylbenzoate
Property Insights of 2-acetyl-1-methyl-1H-indol-3-yl 4-methylbenzoate
The XLogP value of 3.90852 indicates that 2-acetyl-1-methyl-1H-indol-3-yl 4-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.3 Ų, 2-acetyl-1-methyl-1H-indol-3-yl 4-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-acetyl-1-methyl-1H-indol-3-yl 4-methylbenzoate has 0 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 2-acetyl-1-methyl-1H-indol-3-yl 4-methylbenzoate?
The CAS number of 2-acetyl-1-methyl-1H-indol-3-yl 4-methylbenzoate is 380643-29-8.
What is the molecular formula of 2-acetyl-1-methyl-1H-indol-3-yl 4-methylbenzoate?
The molecular formula of 2-acetyl-1-methyl-1H-indol-3-yl 4-methylbenzoate is C19H17NO3.
What is the molecular weight of 2-acetyl-1-methyl-1H-indol-3-yl 4-methylbenzoate?
The molecular weight of 2-acetyl-1-methyl-1H-indol-3-yl 4-methylbenzoate is 307.12 g/mol.
Where can I buy 2-acetyl-1-methyl-1H-indol-3-yl 4-methylbenzoate?
You can request a quote for 2-acetyl-1-methyl-1H-indol-3-yl 4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-acetyl-1-methyl-1H-indol-3-yl 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-acetyl-1-methyl-1H-indol-3-yl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.