![7-Bromo-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl acetate structure](/static/products/401/401796-46-1.png)
7-Bromo-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl acetate
TL;DR: 7-Bromo-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl acetate (CAS 401796-46-1) is a chemical compound with molecular formula C13H11BrN2O3 and molecular weight 322.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-bromo-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-yl) acetate
Also Known As: 7-bromo-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl acetate, 2,3-Dihydro-3-acetoxy-7-bromopyrrolo[2,1-b]quinazolin-9(1H)-one, 7-bromo-9-oxo-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-3-yl acetate, (7-bromo-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-yl) acetate
| Molecular Formula | C13H11BrN2O3 |
|---|---|
| Molecular Weight | 322.00 g/mol |
| LogP | 2.1669 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 321.9953 |
| Heavy Atoms | 19 |
| Complexity | 738.48114 |
Chemical Identifiers
| CAS Number | 401796-46-1 |
|---|---|
| SMILES | CC(=O)OC1CCN2C1=NC3=C(C2=O)C=C(C=C3)Br |
Product Overview
7-Bromo-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl acetate (CAS 401796-46-1), with molecular formula C13H11BrN2O3 and molecular weight 322.00 g/mol. IUPAC: (7-bromo-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-yl) acetate.
Chemical Property Profile of 7-Bromo-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl acetate
Property Insights of 7-Bromo-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl acetate
The XLogP value of 2.1669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Bromo-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl acetate. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Bromo-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl acetate. Following Lipinski's Rule of Five, 7-Bromo-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-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 7-Bromo-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl acetate?
The CAS number of 7-Bromo-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl acetate is 401796-46-1.
What is the molecular formula of 7-Bromo-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl acetate?
The molecular formula of 7-Bromo-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl acetate is C13H11BrN2O3.
What is the molecular weight of 7-Bromo-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl acetate?
The molecular weight of 7-Bromo-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl acetate is 322.00 g/mol.
Where can I buy 7-Bromo-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl acetate?
You can request a quote for 7-Bromo-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-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 7-Bromo-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 7-Bromo-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.