benzyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate
TL;DR: benzyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate (CAS 5642-33-1) is a chemical compound with molecular formula C17H10Br2O4 and molecular weight 435.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 6,8-dibromo-2-oxochromene-3-carboxylate
Also Known As: TimTec1_006741, benzyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate, BAS 00852452, benzyl 6,8-dibromo-2-oxochromene-3-carboxylate, VU0488724-1
| Molecular Formula | C17H10Br2O4 |
|---|---|
| Molecular Weight | 435.89 g/mol |
| LogP | 4.675 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 435.8946 |
| Heavy Atoms | 23 |
| Complexity | 932.4714 |
Chemical Identifiers
| CAS Number | 5642-33-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CC3=CC(=CC(=C3OC2=O)Br)Br |
Product Overview
benzyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate (CAS 5642-33-1), with molecular formula C17H10Br2O4 and molecular weight 435.89 g/mol. IUPAC: benzyl 6,8-dibromo-2-oxochromene-3-carboxylate.
Chemical Property Profile of benzyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate
Property Insights of benzyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate
The XLogP value of 4.675 indicates that benzyl 6,8-dibromo-2-oxo-2H-chromene-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, benzyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl 6,8-dibromo-2-oxo-2H-chromene-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 benzyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate?
The CAS number of benzyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate is 5642-33-1.
What is the molecular formula of benzyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate?
The molecular formula of benzyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate is C17H10Br2O4.
What is the molecular weight of benzyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate?
The molecular weight of benzyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate is 435.89 g/mol.
Where can I buy benzyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate?
You can request a quote for benzyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.