![4-(Bis{2-[(methanesulfonyl)oxy]ethyl}amino)benzoic acid structure](/static/products/939/93985-39-8.png)
4-(Bis{2-[(methanesulfonyl)oxy]ethyl}amino)benzoic acid
TL;DR: 4-(Bis{2-[(methanesulfonyl)oxy]ethyl}amino)benzoic acid (CAS 93985-39-8) is a chemical compound with molecular formula C13H19NO8S2 and molecular weight 381.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-methylsulfonyloxyethyl)amino]benzoic acid
Also Known As: 4-(bis benzoicacid, NCIOpen2_007894, Benzoic acid, dimethanesulfonate (ester), NCI60_004454, 4-[bis(2-methylsulfonyloxyethyl)amino]benzoic acid
| Molecular Formula | C13H19NO8S2 |
|---|---|
| Molecular Weight | 381.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 381.0552 |
| Heavy Atoms | 24 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 93985-39-8 |
|---|---|
| SMILES | CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=C(C=C1)C(=O)O |
| InChIKey | DGLJGZXRIMUUSW-UHFFFAOYSA-N |
Product Overview
4-(Bis{2-[(methanesulfonyl)oxy]ethyl}amino)benzoic acid (CAS 93985-39-8), with molecular formula C13H19NO8S2 and molecular weight 381.06 g/mol. IUPAC: 4-[bis(2-methylsulfonyloxyethyl)amino]benzoic acid.
Chemical Property Profile of 4-(Bis{2-[(methanesulfonyl)oxy]ethyl}amino)benzoic acid
Property Insights of 4-(Bis{2-[(methanesulfonyl)oxy]ethyl}amino)benzoic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Bis{2-[(methanesulfonyl)oxy]ethyl}amino)benzoic acid. The TPSA of 144.0 Ų indicates high polarity, suggesting 4-(Bis{2-[(methanesulfonyl)oxy]ethyl}amino)benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(Bis{2-[(methanesulfonyl)oxy]ethyl}amino)benzoic acid has 1 hydrogen bond donor(s) and 9 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 4-(Bis{2-[(methanesulfonyl)oxy]ethyl}amino)benzoic acid?
The CAS number of 4-(Bis{2-[(methanesulfonyl)oxy]ethyl}amino)benzoic acid is 93985-39-8.
What is the molecular formula of 4-(Bis{2-[(methanesulfonyl)oxy]ethyl}amino)benzoic acid?
The molecular formula of 4-(Bis{2-[(methanesulfonyl)oxy]ethyl}amino)benzoic acid is C13H19NO8S2.
What is the molecular weight of 4-(Bis{2-[(methanesulfonyl)oxy]ethyl}amino)benzoic acid?
The molecular weight of 4-(Bis{2-[(methanesulfonyl)oxy]ethyl}amino)benzoic acid is 381.06 g/mol.
Where can I buy 4-(Bis{2-[(methanesulfonyl)oxy]ethyl}amino)benzoic acid?
You can request a quote for 4-(Bis{2-[(methanesulfonyl)oxy]ethyl}amino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Bis{2-[(methanesulfonyl)oxy]ethyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Bis{2-[(methanesulfonyl)oxy]ethyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.