4,4-Dimethoxy-2-phenylbutanoic acid
TL;DR: 4,4-Dimethoxy-2-phenylbutanoic acid (CAS 43159-85-9) is a chemical compound with molecular formula C12H16O4 and molecular weight 224.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethoxy-2-phenylbutanoic acid
Also Known As: 4,4-dimethoxy-2-phenylbutanoic acid, 2-Phenylsuccinaldehydic acid dimethyl acetal, 1,1-Dimethoxy-3-phenylpropano-3-carboxylic acid, Succinaldehydic acid, 2-phenyl-, dimethyl acetal, RefChem:1069327
| Molecular Formula | C12H16O4 |
|---|---|
| Molecular Weight | 224.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 224.10486 |
| Heavy Atoms | 16 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 43159-85-9 |
|---|---|
| SMILES | COC(CC(C1=CC=CC=C1)C(=O)O)OC |
| InChIKey | UPUSOXYCPGGPRN-UHFFFAOYSA-N |
Product Overview
4,4-Dimethoxy-2-phenylbutanoic acid (CAS 43159-85-9), with molecular formula C12H16O4 and molecular weight 224.10 g/mol. IUPAC: 4,4-dimethoxy-2-phenylbutanoic acid.
Chemical Property Profile of 4,4-Dimethoxy-2-phenylbutanoic acid
Property Insights of 4,4-Dimethoxy-2-phenylbutanoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethoxy-2-phenylbutanoic acid. With a topological polar surface area (TPSA) of 55.8 Ų, 4,4-Dimethoxy-2-phenylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethoxy-2-phenylbutanoic acid has 1 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 4,4-Dimethoxy-2-phenylbutanoic acid?
The CAS number of 4,4-Dimethoxy-2-phenylbutanoic acid is 43159-85-9.
What is the molecular formula of 4,4-Dimethoxy-2-phenylbutanoic acid?
The molecular formula of 4,4-Dimethoxy-2-phenylbutanoic acid is C12H16O4.
What is the molecular weight of 4,4-Dimethoxy-2-phenylbutanoic acid?
The molecular weight of 4,4-Dimethoxy-2-phenylbutanoic acid is 224.10 g/mol.
Where can I buy 4,4-Dimethoxy-2-phenylbutanoic acid?
You can request a quote for 4,4-Dimethoxy-2-phenylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethoxy-2-phenylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethoxy-2-phenylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.