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Methyl 4-{[(dimethylamino)sulfonyl]oxy}benzenecarboxylate
TL;DR: Methyl 4-{[(dimethylamino)sulfonyl]oxy}benzenecarboxylate (CAS 338396-06-8) is a chemical compound with molecular formula C10H13NO5S and molecular weight 259.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(dimethylsulfamoyloxy)benzoate
Also Known As: Methyl 4-(dimethylsulfamoyloxy)benzoate, methyl 4-[(dimethylsulfamoyl)oxy]benzoate, methyl 4-{[(dimethylamino)sulfonyl]oxy}benzenecarboxylate, methyl4-[(dimethylsulfamoyl)oxy]benzoate, J3.018.122K
| Molecular Formula | C10H13NO5S |
|---|---|
| Molecular Weight | 259.05 g/mol |
| LogP | 0.6584 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.05145 |
| Heavy Atoms | 17 |
| Complexity | 491.93246 |
Chemical Identifiers
| CAS Number | 338396-06-8 |
|---|---|
| SMILES | CN(C)S(=O)(=O)OC1=CC=C(C=C1)C(=O)OC |
Product Overview
Methyl 4-{[(dimethylamino)sulfonyl]oxy}benzenecarboxylate (CAS 338396-06-8), with molecular formula C10H13NO5S and molecular weight 259.05 g/mol. IUPAC: methyl 4-(dimethylsulfamoyloxy)benzoate.
Chemical Property Profile of Methyl 4-{[(dimethylamino)sulfonyl]oxy}benzenecarboxylate
Property Insights of Methyl 4-{[(dimethylamino)sulfonyl]oxy}benzenecarboxylate
The XLogP value of 0.6584 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-{[(dimethylamino)sulfonyl]oxy}benzenecarboxylate. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{[(dimethylamino)sulfonyl]oxy}benzenecarboxylate. Following Lipinski's Rule of Five, Methyl 4-{[(dimethylamino)sulfonyl]oxy}benzenecarboxylate has 0 hydrogen bond donor(s) and 5 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 Methyl 4-{[(dimethylamino)sulfonyl]oxy}benzenecarboxylate?
The CAS number of Methyl 4-{[(dimethylamino)sulfonyl]oxy}benzenecarboxylate is 338396-06-8.
What is the molecular formula of Methyl 4-{[(dimethylamino)sulfonyl]oxy}benzenecarboxylate?
The molecular formula of Methyl 4-{[(dimethylamino)sulfonyl]oxy}benzenecarboxylate is C10H13NO5S.
What is the molecular weight of Methyl 4-{[(dimethylamino)sulfonyl]oxy}benzenecarboxylate?
The molecular weight of Methyl 4-{[(dimethylamino)sulfonyl]oxy}benzenecarboxylate is 259.05 g/mol.
Where can I buy Methyl 4-{[(dimethylamino)sulfonyl]oxy}benzenecarboxylate?
You can request a quote for Methyl 4-{[(dimethylamino)sulfonyl]oxy}benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-{[(dimethylamino)sulfonyl]oxy}benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[(dimethylamino)sulfonyl]oxy}benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.