3-Methylphenyl (4-methylphenoxy)acetate
TL;DR: 3-Methylphenyl (4-methylphenoxy)acetate (CAS 133192-76-4) is a chemical compound with molecular formula C16H16O3 and molecular weight 256.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylphenyl) 2-(4-methylphenoxy)acetate
Also Known As: 3-methylphenyl (4-methylphenoxy)acetate, (3-methylphenyl) 2-(4-methylphenoxy)acetate, 3-methylphenyl 2-(4-methylphenoxy)acetate, AN-329/40887303
| Molecular Formula | C16H16O3 |
|---|---|
| Molecular Weight | 256.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.10995 |
| Heavy Atoms | 19 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 133192-76-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC(=O)OC2=CC=CC(=C2)C |
| InChIKey | RIGJAJPEGRDFLC-UHFFFAOYSA-N |
Product Overview
3-Methylphenyl (4-methylphenoxy)acetate (CAS 133192-76-4), with molecular formula C16H16O3 and molecular weight 256.11 g/mol. IUPAC: (3-methylphenyl) 2-(4-methylphenoxy)acetate.
Chemical Property Profile of 3-Methylphenyl (4-methylphenoxy)acetate
Property Insights of 3-Methylphenyl (4-methylphenoxy)acetate
The XLogP value of 4.0 indicates that 3-Methylphenyl (4-methylphenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 3-Methylphenyl (4-methylphenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylphenyl (4-methylphenoxy)acetate 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 3-Methylphenyl (4-methylphenoxy)acetate?
The CAS number of 3-Methylphenyl (4-methylphenoxy)acetate is 133192-76-4.
What is the molecular formula of 3-Methylphenyl (4-methylphenoxy)acetate?
The molecular formula of 3-Methylphenyl (4-methylphenoxy)acetate is C16H16O3.
What is the molecular weight of 3-Methylphenyl (4-methylphenoxy)acetate?
The molecular weight of 3-Methylphenyl (4-methylphenoxy)acetate is 256.11 g/mol.
Where can I buy 3-Methylphenyl (4-methylphenoxy)acetate?
You can request a quote for 3-Methylphenyl (4-methylphenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylphenyl (4-methylphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylphenyl (4-methylphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.