(4-异丁氧基苯基)乙酸甲酯
TL;DR: (4-异丁氧基苯基)乙酸甲酯 (CAS 61904-54-9) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-异丁氧基苯基)乙酸甲酯
methyl 2-[4-(2-methylpropoxy)phenyl]acetate
Also Known As: Methyl 2-(4-isobutoxyphenyl)acetate, (4-Isobutoxy-phenyl)-acetic acid, methyl ester, methyl 2-[4-(2-methylpropoxy)phenyl]acetate, KSC-229-33-2, Methyl [4-(2-methylpropoxy)phenyl]acetate
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 61904-54-9 |
|---|---|
| SMILES | CC(C)COC1=CC=C(C=C1)CC(=O)OC |
| InChIKey | KCTOGAHDQAKXEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-异丁氧基苯基)乙酸甲酯 (CAS 61904-54-9), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: methyl 2-[4-(2-methylpropoxy)phenyl]acetate.
Chemical Property Profile of (4-异丁氧基苯基)乙酸甲酯
Property Insights of (4-异丁氧基苯基)乙酸甲酯
The XLogP value of 3.0 indicates that (4-异丁氧基苯基)乙酸甲酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, (4-异丁氧基苯基)乙酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-异丁氧基苯基)乙酸甲酯 has 0 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 (4-异丁氧基苯基)乙酸甲酯?
The CAS number of (4-异丁氧基苯基)乙酸甲酯 is 61904-54-9.
What is the molecular formula of (4-异丁氧基苯基)乙酸甲酯?
The molecular formula of (4-异丁氧基苯基)乙酸甲酯 is C13H18O3.
What is the molecular weight of (4-异丁氧基苯基)乙酸甲酯?
The molecular weight of (4-异丁氧基苯基)乙酸甲酯 is 222.13 g/mol.
Where can I buy (4-异丁氧基苯基)乙酸甲酯?
You can request a quote for (4-异丁氧基苯基)乙酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-异丁氧基苯基)乙酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for (4-异丁氧基苯基)乙酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.