4-((2-Chloroethyl) (2-mesyloxyethyl)amino)benzoic acid
TL;DR: 4-((2-Chloroethyl) (2-mesyloxyethyl)amino)benzoic acid (CAS 122665-70-7) is a chemical compound with molecular formula C12H16ClNO5S and molecular weight 321.04376 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]benzoic acid
Also Known As: 4-Cema-benzoic acid, 4-((2-Chloroethyl) (2-mesyloxyethyl)amino)benzoic acid, 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]benzoic acid, 4-[(2-chloroethyl)(2-mesyloxyethyl)amino] benzoic acid, 4-((2-Chloroethyl)(2-((methylsulfonyl)oxy)ethyl)amino)benzoic acid
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H16ClNO5S |
| Molecular Weight | 321.04376 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 92.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 321.04376 Da |
| Heavy Atoms | 20 |
| Complexity | 401.0 |
| SMILES | CS(=O)(=O)OCCN(CCCl)C1=CC=C(C=C1)C(=O)O |
| InChIKey | ANWIGCCRMNYDJN-UHFFFAOYSA-N |
Chemical Property Profile of 4-((2-Chloroethyl) (2-mesyloxyethyl)amino)benzoic acid
Property Insights of 4-((2-Chloroethyl) (2-mesyloxyethyl)amino)benzoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((2-Chloroethyl) (2-mesyloxyethyl)amino)benzoic acid. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2-Chloroethyl) (2-mesyloxyethyl)amino)benzoic acid. Following Lipinski's Rule of Five, 4-((2-Chloroethyl) (2-mesyloxyethyl)amino)benzoic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-((2-Chloroethyl) (2-mesyloxyethyl)amino)benzoic acid?
The CAS number of 4-((2-Chloroethyl) (2-mesyloxyethyl)amino)benzoic acid is 122665-70-7.
What is the molecular formula of 4-((2-Chloroethyl) (2-mesyloxyethyl)amino)benzoic acid?
The molecular formula of 4-((2-Chloroethyl) (2-mesyloxyethyl)amino)benzoic acid is C12H16ClNO5S.
What is the molecular weight of 4-((2-Chloroethyl) (2-mesyloxyethyl)amino)benzoic acid?
The molecular weight of 4-((2-Chloroethyl) (2-mesyloxyethyl)amino)benzoic acid is 321.04376 g/mol.
Where can I buy 4-((2-Chloroethyl) (2-mesyloxyethyl)amino)benzoic acid?
You can request a quote for 4-((2-Chloroethyl) (2-mesyloxyethyl)amino)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-((2-Chloroethyl) (2-mesyloxyethyl)amino)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-((2-Chloroethyl) (2-mesyloxyethyl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.