4-((2-Chloroethyl)(2-mesyloxyethyl)amino)benzoylglutamic acid
TL;DR: 4-((2-Chloroethyl)(2-mesyloxyethyl)amino)benzoylglutamic acid (CAS 122665-73-0) is a chemical compound with molecular formula C17H23ClN2O8S and molecular weight 450.08636 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]benzoyl]amino]pentanedioic acid
Also Known As: CMDA, 4-Cema-benzoyl-glutamic acid, 4-((2-Chloroethyl)(2-mesyloxyethyl)amino)benzoylglutamic acid, (S)-2-(4-((2-Chloroethyl)(2-((methylsulfonyl)oxy)ethyl)amino)benzamido)pentanedioic acid, (2S)-2-[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]benzoyl]amino]pentanedioic acid
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H23ClN2O8S |
| Molecular Weight | 450.08636 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 159.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 450.08636 Da |
| Heavy Atoms | 29 |
| Complexity | 659.0 |
| SMILES | CS(=O)(=O)OCCN(CCCl)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
| InChIKey | QVWYCTGTGHDWFQ-AWEZNQCLSA-N |
Chemical Property Profile of 4-((2-Chloroethyl)(2-mesyloxyethyl)amino)benzoylglutamic acid
Property Insights of 4-((2-Chloroethyl)(2-mesyloxyethyl)amino)benzoylglutamic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((2-Chloroethyl)(2-mesyloxyethyl)amino)benzoylglutamic acid. The TPSA of 159.0 Ų indicates high polarity, suggesting 4-((2-Chloroethyl)(2-mesyloxyethyl)amino)benzoylglutamic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-((2-Chloroethyl)(2-mesyloxyethyl)amino)benzoylglutamic acid has 3 hydrogen bond donor(s) and 9 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)benzoylglutamic acid?
The CAS number of 4-((2-Chloroethyl)(2-mesyloxyethyl)amino)benzoylglutamic acid is 122665-73-0.
What is the molecular formula of 4-((2-Chloroethyl)(2-mesyloxyethyl)amino)benzoylglutamic acid?
The molecular formula of 4-((2-Chloroethyl)(2-mesyloxyethyl)amino)benzoylglutamic acid is C17H23ClN2O8S.
What is the molecular weight of 4-((2-Chloroethyl)(2-mesyloxyethyl)amino)benzoylglutamic acid?
The molecular weight of 4-((2-Chloroethyl)(2-mesyloxyethyl)amino)benzoylglutamic acid is 450.08636 g/mol.
Where can I buy 4-((2-Chloroethyl)(2-mesyloxyethyl)amino)benzoylglutamic acid?
You can request a quote for 4-((2-Chloroethyl)(2-mesyloxyethyl)amino)benzoylglutamic 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)benzoylglutamic acid?
Yes, CoreyChem provides custom synthesis services for 4-((2-Chloroethyl)(2-mesyloxyethyl)amino)benzoylglutamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.