methyl 3-bromo-2-oxo-2H-pyran-5-carboxylate
TL;DR: methyl 3-bromo-2-oxo-2H-pyran-5-carboxylate (CAS 42933-07-3) is a chemical compound with molecular formula C7H5BrO4 and molecular weight 231.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-bromo-6-oxopyran-3-carboxylate
Also Known As: methyl 3-bromo-2-oxo-2H-pyran-5-carboxylate, methyl 5-bromo-6-oxopyran-3-carboxylate, methyl 3-bromo-2-oxopyran-5-carboxylate, 2H-Pyran-5-carboxylic acid, 3-bromo-2-oxo-, methyl ester, methyl 5-bromo-6-oxo-pyran-3-carboxylate
| Molecular Formula | C7H5BrO4 |
|---|---|
| Molecular Weight | 231.94 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.93712 |
| Heavy Atoms | 12 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 42933-07-3 |
|---|---|
| SMILES | COC(=O)C1=COC(=O)C(=C1)Br |
| InChIKey | CGWCMWNFFICVFC-UHFFFAOYSA-N |
Product Overview
methyl 3-bromo-2-oxo-2H-pyran-5-carboxylate (CAS 42933-07-3), with molecular formula C7H5BrO4 and molecular weight 231.94 g/mol. IUPAC: methyl 5-bromo-6-oxopyran-3-carboxylate.
Chemical Property Profile of methyl 3-bromo-2-oxo-2H-pyran-5-carboxylate
Property Insights of methyl 3-bromo-2-oxo-2H-pyran-5-carboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-bromo-2-oxo-2H-pyran-5-carboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, methyl 3-bromo-2-oxo-2H-pyran-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-bromo-2-oxo-2H-pyran-5-carboxylate 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 methyl 3-bromo-2-oxo-2H-pyran-5-carboxylate?
The CAS number of methyl 3-bromo-2-oxo-2H-pyran-5-carboxylate is 42933-07-3.
What is the molecular formula of methyl 3-bromo-2-oxo-2H-pyran-5-carboxylate?
The molecular formula of methyl 3-bromo-2-oxo-2H-pyran-5-carboxylate is C7H5BrO4.
What is the molecular weight of methyl 3-bromo-2-oxo-2H-pyran-5-carboxylate?
The molecular weight of methyl 3-bromo-2-oxo-2H-pyran-5-carboxylate is 231.94 g/mol.
Where can I buy methyl 3-bromo-2-oxo-2H-pyran-5-carboxylate?
You can request a quote for methyl 3-bromo-2-oxo-2H-pyran-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-bromo-2-oxo-2H-pyran-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-bromo-2-oxo-2H-pyran-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.