Toluene, alpha-chloro-2,3,4-trimethoxy-
TL;DR: Toluene, alpha-chloro-2,3,4-trimethoxy- (CAS 1133-49-9) is a chemical compound with molecular formula C10H13ClO3 and molecular weight 216.05533 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(chloromethyl)-2,3,4-trimethoxybenzene
Also Known As: 1-(chloromethyl)-2,3,4-trimethoxybenzene, Trityl chloride, 2,3,4-trimethoxybenzyl chloride, Toluene, alpha-chloro-2,3,4-trimethoxy-, A-chloro-2,3,4-trimethoxytoluene
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H13ClO3 |
| Molecular Weight | 216.05533 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.05533 Da |
| Heavy Atoms | 14 |
| Complexity | 165.0 |
| SMILES | COC1=C(C(=C(C=C1)CCl)OC)OC |
| InChIKey | HEAQHTKDZPKODU-UHFFFAOYSA-N |
Chemical Property Profile of Toluene, alpha-chloro-2,3,4-trimethoxy-
Property Insights of Toluene, alpha-chloro-2,3,4-trimethoxy-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Toluene, alpha-chloro-2,3,4-trimethoxy-. With a topological polar surface area (TPSA) of 27.7 Ų, Toluene, alpha-chloro-2,3,4-trimethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Toluene, alpha-chloro-2,3,4-trimethoxy- 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
What is the CAS number of Toluene, alpha-chloro-2,3,4-trimethoxy-?
The CAS number of Toluene, alpha-chloro-2,3,4-trimethoxy- is 1133-49-9.
What is the molecular formula of Toluene, alpha-chloro-2,3,4-trimethoxy-?
The molecular formula of Toluene, alpha-chloro-2,3,4-trimethoxy- is C10H13ClO3.
What is the molecular weight of Toluene, alpha-chloro-2,3,4-trimethoxy-?
The molecular weight of Toluene, alpha-chloro-2,3,4-trimethoxy- is 216.05533 g/mol.
Where can I buy Toluene, alpha-chloro-2,3,4-trimethoxy-?
You can request a quote for Toluene, alpha-chloro-2,3,4-trimethoxy- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Toluene, alpha-chloro-2,3,4-trimethoxy-?
Yes, CoreyChem provides custom synthesis services for Toluene, alpha-chloro-2,3,4-trimethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.