2-(3-丁氧基苯氧基)乙酸
TL;DR: 2-(3-丁氧基苯氧基)乙酸 (CAS 71172-77-5) 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.
2-(3-丁氧基苯氧基)乙酸
2-(3-butoxyphenoxy)acetic acid
Also Known As: 2-(3-butoxyphenoxy)acetic acid, (3-butoxyphenoxy)acetic acid, (3-butoxy-phenoxy)-acetic acid, KST-1A7737, Acetic acid,2-(3-butoxyphenoxy)-
| Molecular Formula | C12H16O4 |
|---|---|
| Molecular Weight | 224.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 224.10486 |
| Heavy Atoms | 16 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 71172-77-5 |
|---|---|
| SMILES | CCCCOC1=CC(=CC=C1)OCC(=O)O |
| InChIKey | XXJYIRTTXDIZSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-丁氧基苯氧基)乙酸 (CAS 71172-77-5), with molecular formula C12H16O4 and molecular weight 224.10 g/mol. IUPAC: 2-(3-butoxyphenoxy)acetic acid.
Chemical Property Profile of 2-(3-丁氧基苯氧基)乙酸
Property Insights of 2-(3-丁氧基苯氧基)乙酸
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-丁氧基苯氧基)乙酸. With a topological polar surface area (TPSA) of 55.8 Ų, 2-(3-丁氧基苯氧基)乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-丁氧基苯氧基)乙酸 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 2-(3-丁氧基苯氧基)乙酸?
The CAS number of 2-(3-丁氧基苯氧基)乙酸 is 71172-77-5.
What is the molecular formula of 2-(3-丁氧基苯氧基)乙酸?
The molecular formula of 2-(3-丁氧基苯氧基)乙酸 is C12H16O4.
What is the molecular weight of 2-(3-丁氧基苯氧基)乙酸?
The molecular weight of 2-(3-丁氧基苯氧基)乙酸 is 224.10 g/mol.
Where can I buy 2-(3-丁氧基苯氧基)乙酸?
You can request a quote for 2-(3-丁氧基苯氧基)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-丁氧基苯氧基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-丁氧基苯氧基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.