Ethyl 4-(phthalimidomethylamino)benzoate
TL;DR: Ethyl 4-(phthalimidomethylamino)benzoate (CAS 16320-15-3) is a chemical compound with molecular formula C18H16N2O4 and molecular weight 324.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(1,3-dioxoisoindol-2-yl)methylamino]benzoate
Also Known As: Maybridge1_007119, ETHYL 4-(PHTHALIMIDOMETHYLAMINO)BENZOATE, BAS 00121211, Ethyl 4-(((1,3-dioxoisoindolin-2-yl)methyl)amino)benzoate, ethyl 4-{[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]amino}benzoate
| Molecular Formula | C18H16N2O4 |
|---|---|
| Molecular Weight | 324.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.111 |
| Heavy Atoms | 24 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 16320-15-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NCN2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | UBQTZGQXQLUMKZ-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(phthalimidomethylamino)benzoate (CAS 16320-15-3), with molecular formula C18H16N2O4 and molecular weight 324.11 g/mol. IUPAC: ethyl 4-[(1,3-dioxoisoindol-2-yl)methylamino]benzoate.
Chemical Property Profile of Ethyl 4-(phthalimidomethylamino)benzoate
Property Insights of Ethyl 4-(phthalimidomethylamino)benzoate
The XLogP value of 3.2 indicates that Ethyl 4-(phthalimidomethylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(phthalimidomethylamino)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(phthalimidomethylamino)benzoate has 1 hydrogen bond donor(s) and 5 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 Ethyl 4-(phthalimidomethylamino)benzoate?
The CAS number of Ethyl 4-(phthalimidomethylamino)benzoate is 16320-15-3.
What is the molecular formula of Ethyl 4-(phthalimidomethylamino)benzoate?
The molecular formula of Ethyl 4-(phthalimidomethylamino)benzoate is C18H16N2O4.
What is the molecular weight of Ethyl 4-(phthalimidomethylamino)benzoate?
The molecular weight of Ethyl 4-(phthalimidomethylamino)benzoate is 324.11 g/mol.
Where can I buy Ethyl 4-(phthalimidomethylamino)benzoate?
You can request a quote for Ethyl 4-(phthalimidomethylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(phthalimidomethylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(phthalimidomethylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.