RefChem:404871
TL;DR: RefChem:404871 (CAS 735289-89-1) is a chemical compound with molecular formula C25H16N2O7 and molecular weight 456.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6,7-dihydroxy-2-oxochromen-4-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate
Also Known As: (6,7-dihydroxy-2-oxo-2H-chromen-4-yl)methyl 4-oxo-3-phenyl-3,4-dihydrophthalazine-1-carboxylate, (6,7-dihydroxy-2-oxo-chromen-4-yl)methyl 4-oxo-3-phenyl-phthalazine-1-carboxylate, (6,7-dihydroxy-2-oxochromen-4-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate, (6,7-dihydroxy-2-oxo-2H-chromen-4-yl)methyl4-oxo-3-phenyl-3,4-dihydrophthalazine-1-carboxylate, 981-439-3
| Molecular Formula | C25H16N2O7 |
|---|---|
| Molecular Weight | 456.10 g/mol |
| LogP | 3.2603 |
| Topological Polar Surface Area | 131.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.09576 |
| Heavy Atoms | 34 |
| Complexity | 1687.9115 |
Chemical Identifiers
| CAS Number | 735289-89-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=CC(=O)OC5=CC(=C(C=C45)O)O |
Product Overview
RefChem:404871 (CAS 735289-89-1), with molecular formula C25H16N2O7 and molecular weight 456.10 g/mol. IUPAC: (6,7-dihydroxy-2-oxochromen-4-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate.
Chemical Property Profile of RefChem:404871
Property Insights of RefChem:404871
The XLogP value of 3.2603 indicates that RefChem:404871 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.86 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:404871. Following Lipinski's Rule of Five, RefChem:404871 has 2 hydrogen bond donor(s) and 8 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 RefChem:404871?
The CAS number of RefChem:404871 is 735289-89-1.
What is the molecular formula of RefChem:404871?
The molecular formula of RefChem:404871 is C25H16N2O7.
What is the molecular weight of RefChem:404871?
The molecular weight of RefChem:404871 is 456.10 g/mol.
Where can I buy RefChem:404871?
You can request a quote for RefChem:404871 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:404871?
Yes, KEHONG BIO provides custom synthesis services for RefChem:404871 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.