![Methyl 3-{[(4-isopropyl-3-methylphenoxy)acetyl]amino}benzoate structure](/static/products/4304/430470-37-4.webp)
Methyl 3-{[(4-isopropyl-3-methylphenoxy)acetyl]amino}benzoate
TL;DR: Methyl 3-{[(4-isopropyl-3-methylphenoxy)acetyl]amino}benzoate (CAS 430470-37-4) is a chemical compound with molecular formula C20H23NO4 and molecular weight 341.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoate
Also Known As: AB00113762-01, methyl 3-{[(4-isopropyl-3-methylphenoxy)acetyl]amino}benzoate, methyl 3-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoate, methyl 3-(2-(4-isopropyl-3-methylphenoxy)acetamido)benzoate, methyl 3-[2-(4-isopropyl-3-methyl-phenoxy)acetylamino]benzoate
| Molecular Formula | C20H23NO4 |
|---|---|
| Molecular Weight | 341.16 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 341.16272 |
| Heavy Atoms | 25 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 430470-37-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC(=O)NC2=CC=CC(=C2)C(=O)OC)C(C)C |
| InChIKey | XQRPHICVBUHKAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-{[(4-isopropyl-3-methylphenoxy)acetyl]amino}benzoate (CAS 430470-37-4), with molecular formula C20H23NO4 and molecular weight 341.16 g/mol. IUPAC: methyl 3-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoate.
Chemical Property Profile of Methyl 3-{[(4-isopropyl-3-methylphenoxy)acetyl]amino}benzoate
Property Insights of Methyl 3-{[(4-isopropyl-3-methylphenoxy)acetyl]amino}benzoate
The XLogP value of 4.1 indicates that Methyl 3-{[(4-isopropyl-3-methylphenoxy)acetyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-{[(4-isopropyl-3-methylphenoxy)acetyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 3-{[(4-isopropyl-3-methylphenoxy)acetyl]amino}benzoate has 1 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 Methyl 3-{[(4-isopropyl-3-methylphenoxy)acetyl]amino}benzoate?
The CAS number of Methyl 3-{[(4-isopropyl-3-methylphenoxy)acetyl]amino}benzoate is 430470-37-4.
What is the molecular formula of Methyl 3-{[(4-isopropyl-3-methylphenoxy)acetyl]amino}benzoate?
The molecular formula of Methyl 3-{[(4-isopropyl-3-methylphenoxy)acetyl]amino}benzoate is C20H23NO4.
What is the molecular weight of Methyl 3-{[(4-isopropyl-3-methylphenoxy)acetyl]amino}benzoate?
The molecular weight of Methyl 3-{[(4-isopropyl-3-methylphenoxy)acetyl]amino}benzoate is 341.16 g/mol.
Where can I buy Methyl 3-{[(4-isopropyl-3-methylphenoxy)acetyl]amino}benzoate?
You can request a quote for Methyl 3-{[(4-isopropyl-3-methylphenoxy)acetyl]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 3-{[(4-isopropyl-3-methylphenoxy)acetyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-{[(4-isopropyl-3-methylphenoxy)acetyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.