Ethyl 3-(quinazolin-4-ylamino)benzoate
TL;DR: Ethyl 3-(quinazolin-4-ylamino)benzoate (CAS 389797-98-2) is a chemical compound with molecular formula C17H15N3O2 and molecular weight 293.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(quinazolin-4-ylamino)benzoate
Also Known As: Neuro1_000468, ethyl 3-(quinazolin-4-ylamino)benzoate, ethyl 3-[(quinazolin-4-yl)amino]benzoate, BAS 03309816, 3-(Quinazolin-4-ylamino)-benzoic acid ethyl ester
| Molecular Formula | C17H15N3O2 |
|---|---|
| Molecular Weight | 293.12 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.11642 |
| Heavy Atoms | 22 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 389797-98-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)NC2=NC=NC3=CC=CC=C32 |
| InChIKey | QTUXXVZVIPFIOB-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(quinazolin-4-ylamino)benzoate (CAS 389797-98-2), with molecular formula C17H15N3O2 and molecular weight 293.12 g/mol. IUPAC: ethyl 3-(quinazolin-4-ylamino)benzoate.
Chemical Property Profile of Ethyl 3-(quinazolin-4-ylamino)benzoate
Property Insights of Ethyl 3-(quinazolin-4-ylamino)benzoate
The XLogP value of 4.2 indicates that Ethyl 3-(quinazolin-4-ylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(quinazolin-4-ylamino)benzoate. Following Lipinski's Rule of Five, Ethyl 3-(quinazolin-4-ylamino)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 3-(quinazolin-4-ylamino)benzoate?
The CAS number of Ethyl 3-(quinazolin-4-ylamino)benzoate is 389797-98-2.
What is the molecular formula of Ethyl 3-(quinazolin-4-ylamino)benzoate?
The molecular formula of Ethyl 3-(quinazolin-4-ylamino)benzoate is C17H15N3O2.
What is the molecular weight of Ethyl 3-(quinazolin-4-ylamino)benzoate?
The molecular weight of Ethyl 3-(quinazolin-4-ylamino)benzoate is 293.12 g/mol.
Where can I buy Ethyl 3-(quinazolin-4-ylamino)benzoate?
You can request a quote for Ethyl 3-(quinazolin-4-ylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(quinazolin-4-ylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(quinazolin-4-ylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.