Ethyl 6,8-dibromo-2-oxo-2H-1-benzopyran-3-carboxylate
TL;DR: Ethyl 6,8-dibromo-2-oxo-2H-1-benzopyran-3-carboxylate (CAS 2199-89-5) is a chemical compound with molecular formula C12H8Br2O4 and molecular weight 373.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6,8-dibromo-2-oxochromene-3-carboxylate
Also Known As: ethyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate, Maybridge1_002085, ethyl 6,8-dibromo-2-oxochromene-3-carboxylate, 2H-1-Benzopyran-3-carboxylicacid, 6,8-dibromo-2-oxo-, ethyl ester, J3.424.204F
| Molecular Formula | C12H8Br2O4 |
|---|---|
| Molecular Weight | 373.88 g/mol |
| LogP | 3.4947 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 373.87894 |
| Heavy Atoms | 18 |
| Complexity | 675.56714 |
Chemical Identifiers
| CAS Number | 2199-89-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=CC(=CC(=C2OC1=O)Br)Br |
Product Overview
Ethyl 6,8-dibromo-2-oxo-2H-1-benzopyran-3-carboxylate (CAS 2199-89-5), with molecular formula C12H8Br2O4 and molecular weight 373.88 g/mol. IUPAC: ethyl 6,8-dibromo-2-oxochromene-3-carboxylate.
Chemical Property Profile of Ethyl 6,8-dibromo-2-oxo-2H-1-benzopyran-3-carboxylate
Property Insights of Ethyl 6,8-dibromo-2-oxo-2H-1-benzopyran-3-carboxylate
The XLogP value of 3.4947 indicates that Ethyl 6,8-dibromo-2-oxo-2H-1-benzopyran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, Ethyl 6,8-dibromo-2-oxo-2H-1-benzopyran-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6,8-dibromo-2-oxo-2H-1-benzopyran-3-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 Ethyl 6,8-dibromo-2-oxo-2H-1-benzopyran-3-carboxylate?
The CAS number of Ethyl 6,8-dibromo-2-oxo-2H-1-benzopyran-3-carboxylate is 2199-89-5.
What is the molecular formula of Ethyl 6,8-dibromo-2-oxo-2H-1-benzopyran-3-carboxylate?
The molecular formula of Ethyl 6,8-dibromo-2-oxo-2H-1-benzopyran-3-carboxylate is C12H8Br2O4.
What is the molecular weight of Ethyl 6,8-dibromo-2-oxo-2H-1-benzopyran-3-carboxylate?
The molecular weight of Ethyl 6,8-dibromo-2-oxo-2H-1-benzopyran-3-carboxylate is 373.88 g/mol.
Where can I buy Ethyl 6,8-dibromo-2-oxo-2H-1-benzopyran-3-carboxylate?
You can request a quote for Ethyl 6,8-dibromo-2-oxo-2H-1-benzopyran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6,8-dibromo-2-oxo-2H-1-benzopyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6,8-dibromo-2-oxo-2H-1-benzopyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.