2-acetyl-1-methyl-1H-indol-3-yl 2-chlorobenzoate
TL;DR: 2-acetyl-1-methyl-1H-indol-3-yl 2-chlorobenzoate (CAS 380643-31-2) is a chemical compound with molecular formula C18H14ClNO3 and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyl-1-methylindol-3-yl) 2-chlorobenzoate
Also Known As: BAS 06103623, 2-acetyl-1-methyl-1H-indol-3-yl 2-chlorobenzoate, (2-acetyl-1-methylindol-3-yl) 2-chlorobenzoate, AE-848/11736565, 2-Chloro-benzoic acid 2-acetyl-1-methyl-1H-indol-3-yl ester
| Molecular Formula | C18H14ClNO3 |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 4.2535 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.06622 |
| Heavy Atoms | 23 |
| Complexity | 927.16144 |
Chemical Identifiers
| CAS Number | 380643-31-2 |
|---|---|
| SMILES | CC(=O)C1=C(C2=CC=CC=C2N1C)OC(=O)C3=CC=CC=C3Cl |
Product Overview
2-acetyl-1-methyl-1H-indol-3-yl 2-chlorobenzoate (CAS 380643-31-2), with molecular formula C18H14ClNO3 and molecular weight 327.07 g/mol. IUPAC: (2-acetyl-1-methylindol-3-yl) 2-chlorobenzoate.
Chemical Property Profile of 2-acetyl-1-methyl-1H-indol-3-yl 2-chlorobenzoate
Property Insights of 2-acetyl-1-methyl-1H-indol-3-yl 2-chlorobenzoate
The XLogP value of 4.2535 indicates that 2-acetyl-1-methyl-1H-indol-3-yl 2-chlorobenzoate 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 2-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-acetyl-1-methyl-1H-indol-3-yl 2-chlorobenzoate 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 2-chlorobenzoate?
The CAS number of 2-acetyl-1-methyl-1H-indol-3-yl 2-chlorobenzoate is 380643-31-2.
What is the molecular formula of 2-acetyl-1-methyl-1H-indol-3-yl 2-chlorobenzoate?
The molecular formula of 2-acetyl-1-methyl-1H-indol-3-yl 2-chlorobenzoate is C18H14ClNO3.
What is the molecular weight of 2-acetyl-1-methyl-1H-indol-3-yl 2-chlorobenzoate?
The molecular weight of 2-acetyl-1-methyl-1H-indol-3-yl 2-chlorobenzoate is 327.07 g/mol.
Where can I buy 2-acetyl-1-methyl-1H-indol-3-yl 2-chlorobenzoate?
You can request a quote for 2-acetyl-1-methyl-1H-indol-3-yl 2-chlorobenzoate 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 2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-acetyl-1-methyl-1H-indol-3-yl 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.