![Methyl 2-[(3-bromo-2-oxopyran-5-yl)carbonylamino]benzoate structure](/static/products/672/672269-86-2.png)
Methyl 2-[(3-bromo-2-oxopyran-5-yl)carbonylamino]benzoate
TL;DR: Methyl 2-[(3-bromo-2-oxopyran-5-yl)carbonylamino]benzoate (CAS 672269-86-2) is a chemical compound with molecular formula C14H10BrNO5 and molecular weight 350.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5-bromo-6-oxopyran-3-carbonyl)amino]benzoate
Also Known As: methyl 2-(3-bromo-2-oxo-2H-pyran-5-carboxamido)benzoate, methyl 2-[(3-bromo-2-oxopyran-5-yl)carbonylamino]benzoate, methyl 2-[(5-bromo-6-oxopyran-3-carbonyl)amino]benzoate, methyl 2-{[(3-bromo-2-oxo-2H-pyran-5-yl)carbonyl]amino}benzoate
| Molecular Formula | C14H10BrNO5 |
|---|---|
| Molecular Weight | 350.97 g/mol |
| LogP | 2.4412 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.97424 |
| Heavy Atoms | 21 |
| Complexity | 753.0247 |
Chemical Identifiers
| CAS Number | 672269-86-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)C2=COC(=O)C(=C2)Br |
Product Overview
Methyl 2-[(3-bromo-2-oxopyran-5-yl)carbonylamino]benzoate (CAS 672269-86-2), with molecular formula C14H10BrNO5 and molecular weight 350.97 g/mol. IUPAC: methyl 2-[(5-bromo-6-oxopyran-3-carbonyl)amino]benzoate.
Chemical Property Profile of Methyl 2-[(3-bromo-2-oxopyran-5-yl)carbonylamino]benzoate
Property Insights of Methyl 2-[(3-bromo-2-oxopyran-5-yl)carbonylamino]benzoate
The XLogP value of 2.4412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(3-bromo-2-oxopyran-5-yl)carbonylamino]benzoate. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(3-bromo-2-oxopyran-5-yl)carbonylamino]benzoate. Following Lipinski's Rule of Five, Methyl 2-[(3-bromo-2-oxopyran-5-yl)carbonylamino]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 Methyl 2-[(3-bromo-2-oxopyran-5-yl)carbonylamino]benzoate?
The CAS number of Methyl 2-[(3-bromo-2-oxopyran-5-yl)carbonylamino]benzoate is 672269-86-2.
What is the molecular formula of Methyl 2-[(3-bromo-2-oxopyran-5-yl)carbonylamino]benzoate?
The molecular formula of Methyl 2-[(3-bromo-2-oxopyran-5-yl)carbonylamino]benzoate is C14H10BrNO5.
What is the molecular weight of Methyl 2-[(3-bromo-2-oxopyran-5-yl)carbonylamino]benzoate?
The molecular weight of Methyl 2-[(3-bromo-2-oxopyran-5-yl)carbonylamino]benzoate is 350.97 g/mol.
Where can I buy Methyl 2-[(3-bromo-2-oxopyran-5-yl)carbonylamino]benzoate?
You can request a quote for Methyl 2-[(3-bromo-2-oxopyran-5-yl)carbonylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(3-bromo-2-oxopyran-5-yl)carbonylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(3-bromo-2-oxopyran-5-yl)carbonylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.