对甲氧基苯基丁酸酯
TL;DR: 对甲氧基苯基丁酸酯 (CAS 14617-95-9) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对甲氧基苯基丁酸酯
(4-methoxyphenyl) butanoate
Also Known As: Anisyl butyrate, (4-methoxyphenyl) butanoate, Anisyl n-butyrate, 4-Methoxyphenyl butyrate, 4-methoxyphenyl butanoate
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 14617-95-9 |
|---|---|
| SMILES | CCCC(=O)OC1=CC=C(C=C1)OC |
| InChIKey | NMHGWSBHBWGJNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对甲氧基苯基丁酸酯 (CAS 14617-95-9), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: (4-methoxyphenyl) butanoate.
Chemical Property Profile of 对甲氧基苯基丁酸酯
Property Insights of 对甲氧基苯基丁酸酯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对甲氧基苯基丁酸酯. With a topological polar surface area (TPSA) of 35.5 Ų, 对甲氧基苯基丁酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对甲氧基苯基丁酸酯 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 对甲氧基苯基丁酸酯?
The CAS number of 对甲氧基苯基丁酸酯 is 14617-95-9.
What is the molecular formula of 对甲氧基苯基丁酸酯?
The molecular formula of 对甲氧基苯基丁酸酯 is C11H14O3.
What is the molecular weight of 对甲氧基苯基丁酸酯?
The molecular weight of 对甲氧基苯基丁酸酯 is 194.09 g/mol.
Where can I buy 对甲氧基苯基丁酸酯?
You can request a quote for 对甲氧基苯基丁酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对甲氧基苯基丁酸酯?
Yes, KEHONG BIO provides custom synthesis services for 对甲氧基苯基丁酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.