5-Formyl-2-methoxyphenyl benzoate
TL;DR: 5-Formyl-2-methoxyphenyl benzoate (CAS 53440-24-7) is a chemical compound with molecular formula C15H12O4 and molecular weight 256.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-formyl-2-methoxyphenyl) benzoate
Also Known As: 5-formyl-2-methoxyphenyl benzoate, Isovanillinbenzoat, (5-formyl-2-methoxyphenyl) benzoate, 5-formyl-2-methoxyphenylbenzoate, 2-methoxy-5-formylphenyl benzoate
| Molecular Formula | C15H12O4 |
|---|---|
| Molecular Weight | 256.07 g/mol |
| LogP | 2.7269 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.07355 |
| Heavy Atoms | 19 |
| Complexity | 590.3495 |
Chemical Identifiers
| CAS Number | 53440-24-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=O)OC(=O)C2=CC=CC=C2 |
Product Overview
5-Formyl-2-methoxyphenyl benzoate (CAS 53440-24-7), with molecular formula C15H12O4 and molecular weight 256.07 g/mol. IUPAC: (5-formyl-2-methoxyphenyl) benzoate.
Chemical Property Profile of 5-Formyl-2-methoxyphenyl benzoate
Property Insights of 5-Formyl-2-methoxyphenyl benzoate
The XLogP value of 2.7269 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Formyl-2-methoxyphenyl benzoate. With a topological polar surface area (TPSA) of 52.6 Ų, 5-Formyl-2-methoxyphenyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Formyl-2-methoxyphenyl benzoate 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 5-Formyl-2-methoxyphenyl benzoate?
The CAS number of 5-Formyl-2-methoxyphenyl benzoate is 53440-24-7.
What is the molecular formula of 5-Formyl-2-methoxyphenyl benzoate?
The molecular formula of 5-Formyl-2-methoxyphenyl benzoate is C15H12O4.
What is the molecular weight of 5-Formyl-2-methoxyphenyl benzoate?
The molecular weight of 5-Formyl-2-methoxyphenyl benzoate is 256.07 g/mol.
Where can I buy 5-Formyl-2-methoxyphenyl benzoate?
You can request a quote for 5-Formyl-2-methoxyphenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Formyl-2-methoxyphenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-Formyl-2-methoxyphenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.