3-Bromo-5-carbethoxy-4,6-dimethyl-2-pyrone
TL;DR: 3-Bromo-5-carbethoxy-4,6-dimethyl-2-pyrone (CAS 18152-79-9) is a chemical compound with molecular formula C10H11BrO4 and molecular weight 273.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-bromo-2,4-dimethyl-6-oxopyran-3-carboxylate
Also Known As: 3-Bromo-5-carbethoxy-4,6-dimethyl-2-pyrone, VALPROIC ACID, Maybridge4_002707, Ethyl 3-bromo-4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate, Ethyl Bromoisodehydroacetate
| Molecular Formula | C10H11BrO4 |
|---|---|
| Molecular Weight | 273.98 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.98407 |
| Heavy Atoms | 15 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 18152-79-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=O)C(=C1C)Br)C |
| InChIKey | YMOPMHLWTLUFGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-5-carbethoxy-4,6-dimethyl-2-pyrone (CAS 18152-79-9), with molecular formula C10H11BrO4 and molecular weight 273.98 g/mol. IUPAC: ethyl 5-bromo-2,4-dimethyl-6-oxopyran-3-carboxylate.
Chemical Property Profile of 3-Bromo-5-carbethoxy-4,6-dimethyl-2-pyrone
Property Insights of 3-Bromo-5-carbethoxy-4,6-dimethyl-2-pyrone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-5-carbethoxy-4,6-dimethyl-2-pyrone. With a topological polar surface area (TPSA) of 52.6 Ų, 3-Bromo-5-carbethoxy-4,6-dimethyl-2-pyrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-5-carbethoxy-4,6-dimethyl-2-pyrone 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 3-Bromo-5-carbethoxy-4,6-dimethyl-2-pyrone?
The CAS number of 3-Bromo-5-carbethoxy-4,6-dimethyl-2-pyrone is 18152-79-9.
What is the molecular formula of 3-Bromo-5-carbethoxy-4,6-dimethyl-2-pyrone?
The molecular formula of 3-Bromo-5-carbethoxy-4,6-dimethyl-2-pyrone is C10H11BrO4.
What is the molecular weight of 3-Bromo-5-carbethoxy-4,6-dimethyl-2-pyrone?
The molecular weight of 3-Bromo-5-carbethoxy-4,6-dimethyl-2-pyrone is 273.98 g/mol.
Where can I buy 3-Bromo-5-carbethoxy-4,6-dimethyl-2-pyrone?
You can request a quote for 3-Bromo-5-carbethoxy-4,6-dimethyl-2-pyrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-5-carbethoxy-4,6-dimethyl-2-pyrone?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-5-carbethoxy-4,6-dimethyl-2-pyrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.