3-Chloro-2,5,6-trimethylbenzoate
TL;DR: 3-Chloro-2,5,6-trimethylbenzoate (CAS 18354-25-1) is a chemical compound with molecular formula C10H11ClO2 and molecular weight 198.04475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-2,5,6-trimethylbenzoic acid
Also Known As: 3-Chloro-2,5,6-trimethylbenzoic acid, CTMB, 3-Chloro-2,5,6-trimethylbenzoate, U 23223, BENZOIC ACID, 3-CHLORO-2,5,6-TRIMETHYL-
Technical Specifications
| Molecular Formula | C10H11ClO2 |
| Molecular Weight | 198.04475 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.04475 Da |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
| SMILES | CC1=CC(=C(C(=C1C)C(=O)O)C)Cl |
| InChIKey | JRLXGVKKZQHJAX-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chloro-2,5,6-trimethylbenzoate
Property Insights of 3-Chloro-2,5,6-trimethylbenzoate
The XLogP value of 3.2 indicates that 3-Chloro-2,5,6-trimethylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Chloro-2,5,6-trimethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2,5,6-trimethylbenzoate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Chloro-2,5,6-trimethylbenzoate?
The CAS number of 3-Chloro-2,5,6-trimethylbenzoate is 18354-25-1.
What is the molecular formula of 3-Chloro-2,5,6-trimethylbenzoate?
The molecular formula of 3-Chloro-2,5,6-trimethylbenzoate is C10H11ClO2.
What is the molecular weight of 3-Chloro-2,5,6-trimethylbenzoate?
The molecular weight of 3-Chloro-2,5,6-trimethylbenzoate is 198.04475 g/mol.
Where can I buy 3-Chloro-2,5,6-trimethylbenzoate?
You can request a quote for 3-Chloro-2,5,6-trimethylbenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-2,5,6-trimethylbenzoate?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-2,5,6-trimethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.