3-Benzoyl-2-methoxyhydratropic acid
TL;DR: 3-Benzoyl-2-methoxyhydratropic acid (CAS 31980-90-2) is a chemical compound with molecular formula C17H16O4 and molecular weight 284.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzoyl-2-methoxyphenyl)propanoic acid
Also Known As: 3-Benzoyl-2-methoxyhydratropic acid, EINECS 250-881-2, 2-(3-benzoyl-2-methoxyphenyl)propanoic acid, 3-Benzoyl-2-methoxy-alpha-methylbenzeneacetic acid, Benzeneacetic acid,3-benzoyl-2-methoxy-a-methyl-
| Molecular Formula | C17H16O4 |
|---|---|
| Molecular Weight | 284.10 g/mol |
| LogP | 3.1143 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.10486 |
| Heavy Atoms | 21 |
| Complexity | 661.74524 |
Chemical Identifiers
| CAS Number | 31980-90-2 |
|---|---|
| SMILES | CC(C1=C(C(=CC=C1)C(=O)C2=CC=CC=C2)OC)C(=O)O |
Product Overview
3-Benzoyl-2-methoxyhydratropic acid (CAS 31980-90-2), with molecular formula C17H16O4 and molecular weight 284.10 g/mol. IUPAC: 2-(3-benzoyl-2-methoxyphenyl)propanoic acid.
Chemical Property Profile of 3-Benzoyl-2-methoxyhydratropic acid
Property Insights of 3-Benzoyl-2-methoxyhydratropic acid
The XLogP value of 3.1143 indicates that 3-Benzoyl-2-methoxyhydratropic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzoyl-2-methoxyhydratropic acid. Following Lipinski's Rule of Five, 3-Benzoyl-2-methoxyhydratropic acid has 1 hydrogen bond donor(s) and 3 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-Benzoyl-2-methoxyhydratropic acid?
The CAS number of 3-Benzoyl-2-methoxyhydratropic acid is 31980-90-2.
What is the molecular formula of 3-Benzoyl-2-methoxyhydratropic acid?
The molecular formula of 3-Benzoyl-2-methoxyhydratropic acid is C17H16O4.
What is the molecular weight of 3-Benzoyl-2-methoxyhydratropic acid?
The molecular weight of 3-Benzoyl-2-methoxyhydratropic acid is 284.10 g/mol.
Where can I buy 3-Benzoyl-2-methoxyhydratropic acid?
You can request a quote for 3-Benzoyl-2-methoxyhydratropic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzoyl-2-methoxyhydratropic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoyl-2-methoxyhydratropic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.