1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid, t-butyl ester
TL;DR: 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid, t-butyl ester (CAS 1601-20-3) is a chemical compound with molecular formula C23H24ClNO4 and molecular weight 413.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
Also Known As: 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid, t-butyl ester, tert-Butyl [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate, tert-butyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate, tert-Butyl [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate #, Tert-Butyl 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetate
| Molecular Formula | C23H24ClNO4 |
|---|---|
| Molecular Weight | 413.14 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.13937 |
| Heavy Atoms | 29 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 1601-20-3 |
|---|---|
| SMILES | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OC(C)(C)C |
| InChIKey | JDNRBNRROYRSAG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid, t-butyl ester (CAS 1601-20-3), with molecular formula C23H24ClNO4 and molecular weight 413.14 g/mol. IUPAC: tert-butyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate.
Chemical Property Profile of 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid, t-butyl ester
Property Insights of 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid, t-butyl ester
The XLogP value of 5.6 indicates that 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid, t-butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid, t-butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid, t-butyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid, t-butyl ester?
The CAS number of 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid, t-butyl ester is 1601-20-3.
What is the molecular formula of 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid, t-butyl ester?
The molecular formula of 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid, t-butyl ester is C23H24ClNO4.
What is the molecular weight of 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid, t-butyl ester?
The molecular weight of 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid, t-butyl ester is 413.14 g/mol.
Where can I buy 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid, t-butyl ester?
You can request a quote for 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid, t-butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid, t-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid, t-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.