4-(3-Methylphenoxy)butanoate
TL;DR: 4-(3-Methylphenoxy)butanoate (CAS 22180-01-4) is a chemical compound with molecular formula C11H13O3- and molecular weight 193.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methylphenoxy)butanoate
Also Known As: 4-(3-methylphenoxy)butanoate
| Molecular Formula | C11H13O3- |
|---|---|
| Molecular Weight | 193.09 g/mol |
| LogP | 0.90392 |
| Topological Polar Surface Area | 49.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 193.08647 |
| Heavy Atoms | 14 |
| Complexity | 307.15588 |
Chemical Identifiers
| CAS Number | 22180-01-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCCCC(=O)[O-] |
Product Overview
4-(3-Methylphenoxy)butanoate (CAS 22180-01-4), with molecular formula C11H13O3- and molecular weight 193.09 g/mol. IUPAC: 4-(3-methylphenoxy)butanoate.
Chemical Property Profile of 4-(3-Methylphenoxy)butanoate
Property Insights of 4-(3-Methylphenoxy)butanoate
The XLogP value of 0.90392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Methylphenoxy)butanoate. With a topological polar surface area (TPSA) of 49.36 Ų, 4-(3-Methylphenoxy)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Methylphenoxy)butanoate 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-(3-Methylphenoxy)butanoate?
The CAS number of 4-(3-Methylphenoxy)butanoate is 22180-01-4.
What is the molecular formula of 4-(3-Methylphenoxy)butanoate?
The molecular formula of 4-(3-Methylphenoxy)butanoate is C11H13O3-.
What is the molecular weight of 4-(3-Methylphenoxy)butanoate?
The molecular weight of 4-(3-Methylphenoxy)butanoate is 193.09 g/mol.
Where can I buy 4-(3-Methylphenoxy)butanoate?
You can request a quote for 4-(3-Methylphenoxy)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Methylphenoxy)butanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Methylphenoxy)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.