Acetic acid, (p-butoxyphenyl)-
TL;DR: Acetic acid, (p-butoxyphenyl)- (CAS 4547-57-3) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-butoxyphenyl)acetic acid
Also Known As: 4-Butoxyphenylacetic acid, 2-(4-butoxyphenyl)acetic acid, 4-n-Butoxyphenylacetic acid, Benzeneacetic acid, 4-butoxy-, p-Butoxyphenylacetic acid
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 4547-57-3 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)CC(=O)O |
| InChIKey | KLJMYYFCWBVKEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, (p-butoxyphenyl)- (CAS 4547-57-3), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 2-(4-butoxyphenyl)acetic acid.
Chemical Property Profile of Acetic acid, (p-butoxyphenyl)-
Property Insights of Acetic acid, (p-butoxyphenyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, (p-butoxyphenyl)-. With a topological polar surface area (TPSA) of 46.5 Ų, Acetic acid, (p-butoxyphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (p-butoxyphenyl)- 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 Acetic acid, (p-butoxyphenyl)-?
The CAS number of Acetic acid, (p-butoxyphenyl)- is 4547-57-3.
What is the molecular formula of Acetic acid, (p-butoxyphenyl)-?
The molecular formula of Acetic acid, (p-butoxyphenyl)- is C12H16O3.
What is the molecular weight of Acetic acid, (p-butoxyphenyl)-?
The molecular weight of Acetic acid, (p-butoxyphenyl)- is 208.11 g/mol.
Where can I buy Acetic acid, (p-butoxyphenyl)-?
You can request a quote for Acetic acid, (p-butoxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (p-butoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (p-butoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.