![3,4-Dimethylphenyl [(4-chloro-3,5-dimethylphenyl)oxy]acetate structure](/static/products/304/304672-98-8.png)
3,4-Dimethylphenyl [(4-chloro-3,5-dimethylphenyl)oxy]acetate
TL;DR: 3,4-Dimethylphenyl [(4-chloro-3,5-dimethylphenyl)oxy]acetate (CAS 304672-98-8) is a chemical compound with molecular formula C18H19ClO3 and molecular weight 318.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dimethylphenyl) 2-(4-chloro-3,5-dimethylphenoxy)acetate
Also Known As: BAS 00581661, 3,4-dimethylphenyl [(4-chloro-3,5-dimethylphenyl)oxy]acetate, 3,4-dimethylphenyl 2-(4-chloro-3,5-dimethylphenoxy)acetate, (3,4-dimethylphenyl) 2-(4-chloro-3,5-dimethylphenoxy)acetate, (4-Chloro-3,5-dimethyl-phenoxy)-acetic acid 3,4-dimethyl-phenyl ester
| Molecular Formula | C18H19ClO3 |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.10226 |
| Heavy Atoms | 22 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 304672-98-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OC(=O)COC2=CC(=C(C(=C2)C)Cl)C)C |
| InChIKey | BTHSVVRTXOWWGT-UHFFFAOYSA-N |
Product Overview
3,4-Dimethylphenyl [(4-chloro-3,5-dimethylphenyl)oxy]acetate (CAS 304672-98-8), with molecular formula C18H19ClO3 and molecular weight 318.10 g/mol. IUPAC: (3,4-dimethylphenyl) 2-(4-chloro-3,5-dimethylphenoxy)acetate.
Chemical Property Profile of 3,4-Dimethylphenyl [(4-chloro-3,5-dimethylphenyl)oxy]acetate
Property Insights of 3,4-Dimethylphenyl [(4-chloro-3,5-dimethylphenyl)oxy]acetate
The XLogP value of 5.5 indicates that 3,4-Dimethylphenyl [(4-chloro-3,5-dimethylphenyl)oxy]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, 3,4-Dimethylphenyl [(4-chloro-3,5-dimethylphenyl)oxy]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethylphenyl [(4-chloro-3,5-dimethylphenyl)oxy]acetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-Dimethylphenyl [(4-chloro-3,5-dimethylphenyl)oxy]acetate?
The CAS number of 3,4-Dimethylphenyl [(4-chloro-3,5-dimethylphenyl)oxy]acetate is 304672-98-8.
What is the molecular formula of 3,4-Dimethylphenyl [(4-chloro-3,5-dimethylphenyl)oxy]acetate?
The molecular formula of 3,4-Dimethylphenyl [(4-chloro-3,5-dimethylphenyl)oxy]acetate is C18H19ClO3.
What is the molecular weight of 3,4-Dimethylphenyl [(4-chloro-3,5-dimethylphenyl)oxy]acetate?
The molecular weight of 3,4-Dimethylphenyl [(4-chloro-3,5-dimethylphenyl)oxy]acetate is 318.10 g/mol.
Where can I buy 3,4-Dimethylphenyl [(4-chloro-3,5-dimethylphenyl)oxy]acetate?
You can request a quote for 3,4-Dimethylphenyl [(4-chloro-3,5-dimethylphenyl)oxy]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethylphenyl [(4-chloro-3,5-dimethylphenyl)oxy]acetate?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethylphenyl [(4-chloro-3,5-dimethylphenyl)oxy]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.