4-(Bis(2-((methylsulfonyl)oxy)ethyl)amino)-2-methylbenzaldehyde
TL;DR: 4-(Bis(2-((methylsulfonyl)oxy)ethyl)amino)-2-methylbenzaldehyde (CAS 56967-08-9) is a chemical compound with molecular formula C14H21NO7S2 and molecular weight 379.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-formyl-3-methyl-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate
Also Known As: Dimethane sulfonate, DMS612, DMS 612, Methylene dimethane sulfonate, Benzaldehyde dimethane sulfonate
| Molecular Formula | C14H21NO7S2 |
|---|---|
| Molecular Weight | 379.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 379.07596 |
| Heavy Atoms | 24 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 56967-08-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=O |
| InChIKey | CQVKMVQRSNNAGO-UHFFFAOYSA-N |
Product Overview
4-(Bis(2-((methylsulfonyl)oxy)ethyl)amino)-2-methylbenzaldehyde (CAS 56967-08-9), with molecular formula C14H21NO7S2 and molecular weight 379.08 g/mol. IUPAC: 2-[4-formyl-3-methyl-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate.
Chemical Property Profile of 4-(Bis(2-((methylsulfonyl)oxy)ethyl)amino)-2-methylbenzaldehyde
Property Insights of 4-(Bis(2-((methylsulfonyl)oxy)ethyl)amino)-2-methylbenzaldehyde
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Bis(2-((methylsulfonyl)oxy)ethyl)amino)-2-methylbenzaldehyde. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Bis(2-((methylsulfonyl)oxy)ethyl)amino)-2-methylbenzaldehyde. Following Lipinski's Rule of Five, 4-(Bis(2-((methylsulfonyl)oxy)ethyl)amino)-2-methylbenzaldehyde has 0 hydrogen bond donor(s) and 8 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-((methylsulfonyl)oxy)ethyl)amino)-2-methylbenzaldehyde?
The CAS number of 4-(Bis(2-((methylsulfonyl)oxy)ethyl)amino)-2-methylbenzaldehyde is 56967-08-9.
What is the molecular formula of 4-(Bis(2-((methylsulfonyl)oxy)ethyl)amino)-2-methylbenzaldehyde?
The molecular formula of 4-(Bis(2-((methylsulfonyl)oxy)ethyl)amino)-2-methylbenzaldehyde is C14H21NO7S2.
What is the molecular weight of 4-(Bis(2-((methylsulfonyl)oxy)ethyl)amino)-2-methylbenzaldehyde?
The molecular weight of 4-(Bis(2-((methylsulfonyl)oxy)ethyl)amino)-2-methylbenzaldehyde is 379.08 g/mol.
Where can I buy 4-(Bis(2-((methylsulfonyl)oxy)ethyl)amino)-2-methylbenzaldehyde?
You can request a quote for 4-(Bis(2-((methylsulfonyl)oxy)ethyl)amino)-2-methylbenzaldehyde 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-((methylsulfonyl)oxy)ethyl)amino)-2-methylbenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(Bis(2-((methylsulfonyl)oxy)ethyl)amino)-2-methylbenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.