2,6-Bis(chloromethyl)-p-tolyl acetate
TL;DR: 2,6-Bis(chloromethyl)-p-tolyl acetate (CAS 19228-70-7) is a chemical compound with molecular formula C11H12Cl2O2 and molecular weight 246.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,6-bis(chloromethyl)-4-methylphenyl] acetate
Also Known As: 2,6-Bis(chloromethyl)-4-tolyl acetate, 2,6-Bis(chloromethyl)-p-tolyl acetate, 2,6-Bis(chloromethyl)-4-cresyl acetate, 2,6-bis-(Chloromethyl)-p-tolyl acetate, 2,6-Bis(chloromethyl)-4-methylphenyl acetate
| Molecular Formula | C11H12Cl2O2 |
|---|---|
| Molecular Weight | 246.02 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.02144 |
| Heavy Atoms | 15 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 19228-70-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)CCl)OC(=O)C)CCl |
| InChIKey | KUMMZJSZVNWQLZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Bis(chloromethyl)-p-tolyl acetate (CAS 19228-70-7), with molecular formula C11H12Cl2O2 and molecular weight 246.02 g/mol. IUPAC: [2,6-bis(chloromethyl)-4-methylphenyl] acetate.
Chemical Property Profile of 2,6-Bis(chloromethyl)-p-tolyl acetate
Property Insights of 2,6-Bis(chloromethyl)-p-tolyl acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Bis(chloromethyl)-p-tolyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2,6-Bis(chloromethyl)-p-tolyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Bis(chloromethyl)-p-tolyl acetate has 0 hydrogen bond donor(s) and 2 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 2,6-Bis(chloromethyl)-p-tolyl acetate?
The CAS number of 2,6-Bis(chloromethyl)-p-tolyl acetate is 19228-70-7.
What is the molecular formula of 2,6-Bis(chloromethyl)-p-tolyl acetate?
The molecular formula of 2,6-Bis(chloromethyl)-p-tolyl acetate is C11H12Cl2O2.
What is the molecular weight of 2,6-Bis(chloromethyl)-p-tolyl acetate?
The molecular weight of 2,6-Bis(chloromethyl)-p-tolyl acetate is 246.02 g/mol.
Where can I buy 2,6-Bis(chloromethyl)-p-tolyl acetate?
You can request a quote for 2,6-Bis(chloromethyl)-p-tolyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Bis(chloromethyl)-p-tolyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Bis(chloromethyl)-p-tolyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.