3-(2',5'-Dimethoxybenzoyl)propionic acid
TL;DR: 3-(2',5'-Dimethoxybenzoyl)propionic acid (CAS 1084-74-8) is a chemical compound with molecular formula C12H14O5 and molecular weight 238.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dimethoxyphenyl)-4-oxobutanoic acid
Also Known As: 4-(2,5-dimethoxyphenyl)-4-oxobutanoic acid, 4-(2,5-Dimethoxy-phenyl)-4-oxo-butyric acid, 3-(2',5'-Dimethoxybenzoyl)propionic acid, NCIOpen2_007295, 4-(2,5-dimethoxyphenyl)-4-oxobutyric acid
| Molecular Formula | C12H14O5 |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 238.08412 |
| Heavy Atoms | 17 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 1084-74-8 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)C(=O)CCC(=O)O |
| InChIKey | HSFBDVDTGCGJBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2',5'-Dimethoxybenzoyl)propionic acid (CAS 1084-74-8), with molecular formula C12H14O5 and molecular weight 238.08 g/mol. IUPAC: 4-(2,5-dimethoxyphenyl)-4-oxobutanoic acid.
Chemical Property Profile of 3-(2',5'-Dimethoxybenzoyl)propionic acid
Property Insights of 3-(2',5'-Dimethoxybenzoyl)propionic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2',5'-Dimethoxybenzoyl)propionic acid. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2',5'-Dimethoxybenzoyl)propionic acid. Following Lipinski's Rule of Five, 3-(2',5'-Dimethoxybenzoyl)propionic acid has 1 hydrogen bond donor(s) and 5 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-(2',5'-Dimethoxybenzoyl)propionic acid?
The CAS number of 3-(2',5'-Dimethoxybenzoyl)propionic acid is 1084-74-8.
What is the molecular formula of 3-(2',5'-Dimethoxybenzoyl)propionic acid?
The molecular formula of 3-(2',5'-Dimethoxybenzoyl)propionic acid is C12H14O5.
What is the molecular weight of 3-(2',5'-Dimethoxybenzoyl)propionic acid?
The molecular weight of 3-(2',5'-Dimethoxybenzoyl)propionic acid is 238.08 g/mol.
Where can I buy 3-(2',5'-Dimethoxybenzoyl)propionic acid?
You can request a quote for 3-(2',5'-Dimethoxybenzoyl)propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2',5'-Dimethoxybenzoyl)propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2',5'-Dimethoxybenzoyl)propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.