4-(((3-Benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-YL)oxy)methyl)benzoic acid
TL;DR: 4-(((3-Benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-YL)oxy)methyl)benzoic acid (CAS 376379-53-2) is a chemical compound with molecular formula C26H22O5 and molecular weight 414.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxymethyl]benzoic acid
Also Known As: 4-(((3-BENZYL-4,8-DIMETHYL-2-OXO-2H-CHROMEN-7-YL)OXY)METHYL)BENZOIC ACID, 4-{[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]methyl}benzoic acid, 4-[(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxymethyl]benzoic acid, 4-[(3-benzyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxymethyl]benzoic Acid
| Molecular Formula | C26H22O5 |
|---|---|
| Molecular Weight | 414.15 g/mol |
| LogP | 5.27784 |
| Topological Polar Surface Area | 76.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.14673 |
| Heavy Atoms | 31 |
| Complexity | 1301.9565 |
Chemical Identifiers
| CAS Number | 376379-53-2 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC=C(C=C3)C(=O)O)CC4=CC=CC=C4 |
Product Overview
4-(((3-Benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-YL)oxy)methyl)benzoic acid (CAS 376379-53-2), with molecular formula C26H22O5 and molecular weight 414.15 g/mol. IUPAC: 4-[(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxymethyl]benzoic acid.
Chemical Property Profile of 4-(((3-Benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-YL)oxy)methyl)benzoic acid
Property Insights of 4-(((3-Benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-YL)oxy)methyl)benzoic acid
The XLogP value of 5.27784 indicates that 4-(((3-Benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-YL)oxy)methyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((3-Benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-YL)oxy)methyl)benzoic acid. Following Lipinski's Rule of Five, 4-(((3-Benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-YL)oxy)methyl)benzoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(((3-Benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-YL)oxy)methyl)benzoic acid?
The CAS number of 4-(((3-Benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-YL)oxy)methyl)benzoic acid is 376379-53-2.
What is the molecular formula of 4-(((3-Benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-YL)oxy)methyl)benzoic acid?
The molecular formula of 4-(((3-Benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-YL)oxy)methyl)benzoic acid is C26H22O5.
What is the molecular weight of 4-(((3-Benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-YL)oxy)methyl)benzoic acid?
The molecular weight of 4-(((3-Benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-YL)oxy)methyl)benzoic acid is 414.15 g/mol.
Where can I buy 4-(((3-Benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-YL)oxy)methyl)benzoic acid?
You can request a quote for 4-(((3-Benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-YL)oxy)methyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(((3-Benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-YL)oxy)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(((3-Benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-YL)oxy)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.