3-methoxyphenyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate
TL;DR: 3-methoxyphenyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate (CAS 313267-07-1) is a chemical compound with molecular formula C17H10Br2O5 and molecular weight 451.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methoxyphenyl) 6,8-dibromo-2-oxochromene-3-carboxylate
Also Known As: 3-methoxyphenyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate, (3-methoxyphenyl) 6,8-dibromo-2-oxochromene-3-carboxylate, 3-methoxyphenyl 6,8-dibromo-2-oxochromene-3-carboxylate, F0777-0480, A1556/0067789
| Molecular Formula | C17H10Br2O5 |
|---|---|
| Molecular Weight | 451.89 g/mol |
| LogP | 4.5458 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 451.8895 |
| Heavy Atoms | 24 |
| Complexity | 993.92773 |
Chemical Identifiers
| CAS Number | 313267-07-1 |
|---|---|
| SMILES | COC1=CC(=CC=C1)OC(=O)C2=CC3=CC(=CC(=C3OC2=O)Br)Br |
Product Overview
3-methoxyphenyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate (CAS 313267-07-1), with molecular formula C17H10Br2O5 and molecular weight 451.89 g/mol. IUPAC: (3-methoxyphenyl) 6,8-dibromo-2-oxochromene-3-carboxylate.
Chemical Property Profile of 3-methoxyphenyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate
Property Insights of 3-methoxyphenyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate
The XLogP value of 4.5458 indicates that 3-methoxyphenyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methoxyphenyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate. Following Lipinski's Rule of Five, 3-methoxyphenyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate has 0 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 3-methoxyphenyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate?
The CAS number of 3-methoxyphenyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate is 313267-07-1.
What is the molecular formula of 3-methoxyphenyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate?
The molecular formula of 3-methoxyphenyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate is C17H10Br2O5.
What is the molecular weight of 3-methoxyphenyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate?
The molecular weight of 3-methoxyphenyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate is 451.89 g/mol.
Where can I buy 3-methoxyphenyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate?
You can request a quote for 3-methoxyphenyl 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 3-methoxyphenyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-methoxyphenyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.