Benzoic acid, 4-((7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy)-, methyl ester
TL;DR: Benzoic acid, 4-((7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy)-, methyl ester (CAS 137988-05-7) is a chemical compound with molecular formula C17H12O6 and molecular weight 312.0634 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-(7-hydroxy-4-oxochromen-3-yl)oxybenzoate
Also Known As: IFLab1_003182, methyl 4-[(7-hydroxy-4-oxo-4H-chromen-3-yl)oxy]benzoate, methyl 4-((7-hydroxy-4-oxo-4H-chromen-3-yl)oxy)benzoate, methyl 4-(7-hydroxy-4-oxochromen-3-yl)oxybenzoate, Benzoic acid, 4-((7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy)-, methyl ester
Technical Specifications
| Molecular Formula | C17H12O6 |
| Molecular Weight | 312.0634 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.0634 Da |
| Heavy Atoms | 23 |
| Complexity | 491.0 |
| SMILES | COC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)O |
| InChIKey | AOEGZILUCAJRCF-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4-((7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy)-, methyl ester
Property Insights of Benzoic acid, 4-((7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy)-, methyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-((7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy)-, methyl ester. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-((7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy)-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-((7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy)-, methyl ester has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-((7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy)-, methyl ester?
The CAS number of Benzoic acid, 4-((7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy)-, methyl ester is 137988-05-7.
What is the molecular formula of Benzoic acid, 4-((7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy)-, methyl ester?
The molecular formula of Benzoic acid, 4-((7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy)-, methyl ester is C17H12O6.
What is the molecular weight of Benzoic acid, 4-((7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy)-, methyl ester?
The molecular weight of Benzoic acid, 4-((7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy)-, methyl ester is 312.0634 g/mol.
Where can I buy Benzoic acid, 4-((7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy)-, methyl ester?
You can request a quote for Benzoic acid, 4-((7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy)-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-((7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy)-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-((7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.