Propan-2-yl 2-(6-bromo-4-oxoquinazolin-3-yl)acetate
TL;DR: Propan-2-yl 2-(6-bromo-4-oxoquinazolin-3-yl)acetate (CAS 459416-40-1) is a chemical compound with molecular formula C13H13BrN2O3 and molecular weight 324.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-(6-bromo-4-oxoquinazolin-3-yl)acetate
Also Known As: ChemDiv3_004604, IDI1_022514, propan-2-yl 2-(6-bromo-4-oxoquinazolin-3-yl)acetate, AE-641/41508776, BRD-K22990998-001-01-3
| Molecular Formula | C13H13BrN2O3 |
|---|---|
| Molecular Weight | 324.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.01096 |
| Heavy Atoms | 19 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 459416-40-1 |
|---|---|
| SMILES | CC(C)OC(=O)CN1C=NC2=C(C1=O)C=C(C=C2)Br |
| InChIKey | VOTMRGAEXRLYEO-UHFFFAOYSA-N |
Product Overview
Propan-2-yl 2-(6-bromo-4-oxoquinazolin-3-yl)acetate (CAS 459416-40-1), with molecular formula C13H13BrN2O3 and molecular weight 324.01 g/mol. IUPAC: propan-2-yl 2-(6-bromo-4-oxoquinazolin-3-yl)acetate.
Chemical Property Profile of Propan-2-yl 2-(6-bromo-4-oxoquinazolin-3-yl)acetate
Property Insights of Propan-2-yl 2-(6-bromo-4-oxoquinazolin-3-yl)acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propan-2-yl 2-(6-bromo-4-oxoquinazolin-3-yl)acetate. With a topological polar surface area (TPSA) of 59.0 Ų, Propan-2-yl 2-(6-bromo-4-oxoquinazolin-3-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl 2-(6-bromo-4-oxoquinazolin-3-yl)acetate has 0 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 Propan-2-yl 2-(6-bromo-4-oxoquinazolin-3-yl)acetate?
The CAS number of Propan-2-yl 2-(6-bromo-4-oxoquinazolin-3-yl)acetate is 459416-40-1.
What is the molecular formula of Propan-2-yl 2-(6-bromo-4-oxoquinazolin-3-yl)acetate?
The molecular formula of Propan-2-yl 2-(6-bromo-4-oxoquinazolin-3-yl)acetate is C13H13BrN2O3.
What is the molecular weight of Propan-2-yl 2-(6-bromo-4-oxoquinazolin-3-yl)acetate?
The molecular weight of Propan-2-yl 2-(6-bromo-4-oxoquinazolin-3-yl)acetate is 324.01 g/mol.
Where can I buy Propan-2-yl 2-(6-bromo-4-oxoquinazolin-3-yl)acetate?
You can request a quote for Propan-2-yl 2-(6-bromo-4-oxoquinazolin-3-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 2-(6-bromo-4-oxoquinazolin-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 2-(6-bromo-4-oxoquinazolin-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.