3-Methylphenyl (2,4-dichlorophenoxy)acetate
TL;DR: 3-Methylphenyl (2,4-dichlorophenoxy)acetate (CAS 67829-87-2) is a chemical compound with molecular formula C15H12Cl2O3 and molecular weight 310.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylphenyl) 2-(2,4-dichlorophenoxy)acetate
Also Known As: 3-methylphenyl (2,4-dichlorophenoxy)acetate, (3-methylphenyl) 2-(2,4-dichlorophenoxy)acetate, 3-methylphenyl 2-(2,4-dichlorophenoxy)acetate, BIM-0047828.P001, Acetic acid, (2,4-dichlorophenoxy)-, 3-methylphenyl ester
| Molecular Formula | C15H12Cl2O3 |
|---|---|
| Molecular Weight | 310.02 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.01636 |
| Heavy Atoms | 20 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 67829-87-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC(=O)COC2=C(C=C(C=C2)Cl)Cl |
| InChIKey | VHXWGLGXWIJSSF-UHFFFAOYSA-N |
Product Overview
3-Methylphenyl (2,4-dichlorophenoxy)acetate (CAS 67829-87-2), with molecular formula C15H12Cl2O3 and molecular weight 310.02 g/mol. IUPAC: (3-methylphenyl) 2-(2,4-dichlorophenoxy)acetate.
Chemical Property Profile of 3-Methylphenyl (2,4-dichlorophenoxy)acetate
Property Insights of 3-Methylphenyl (2,4-dichlorophenoxy)acetate
The XLogP value of 5.1 indicates that 3-Methylphenyl (2,4-dichlorophenoxy)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 (2,4-dichlorophenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylphenyl (2,4-dichlorophenoxy)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-Methylphenyl (2,4-dichlorophenoxy)acetate?
The CAS number of 3-Methylphenyl (2,4-dichlorophenoxy)acetate is 67829-87-2.
What is the molecular formula of 3-Methylphenyl (2,4-dichlorophenoxy)acetate?
The molecular formula of 3-Methylphenyl (2,4-dichlorophenoxy)acetate is C15H12Cl2O3.
What is the molecular weight of 3-Methylphenyl (2,4-dichlorophenoxy)acetate?
The molecular weight of 3-Methylphenyl (2,4-dichlorophenoxy)acetate is 310.02 g/mol.
Where can I buy 3-Methylphenyl (2,4-dichlorophenoxy)acetate?
You can request a quote for 3-Methylphenyl (2,4-dichlorophenoxy)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 (2,4-dichlorophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylphenyl (2,4-dichlorophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.