Dimethyl 5-(dimethylsulfamoylamino)benzene-1,3-dicarboxylate
TL;DR: Dimethyl 5-(dimethylsulfamoylamino)benzene-1,3-dicarboxylate (CAS 349419-60-9) is a chemical compound with molecular formula C12H16N2O6S and molecular weight 316.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-(dimethylsulfamoylamino)benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-(dimethylsulfamoylamino)benzene-1,3-dicarboxylate, Dimethyl 5-{[(dimethylamino)sulfonyl]amino}isophthalate, 1,3-Dimethyl 5-[[(dimethylamino)sulfonyl]amino]-1,3-benzenedicarboxylate, 1,3-Benzenedicarboxylic acid, 5-[[(dimethylamino)sulfonyl]amino]-,dimethyl ester
| Molecular Formula | C12H16N2O6S |
|---|---|
| Molecular Weight | 316.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 316.0729 |
| Heavy Atoms | 21 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 349419-60-9 |
|---|---|
| SMILES | CN(C)S(=O)(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC |
| InChIKey | HGUMBKYQCJLMQV-UHFFFAOYSA-N |
Product Overview
Dimethyl 5-(dimethylsulfamoylamino)benzene-1,3-dicarboxylate (CAS 349419-60-9), with molecular formula C12H16N2O6S and molecular weight 316.07 g/mol. IUPAC: dimethyl 5-(dimethylsulfamoylamino)benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-(dimethylsulfamoylamino)benzene-1,3-dicarboxylate
Property Insights of Dimethyl 5-(dimethylsulfamoylamino)benzene-1,3-dicarboxylate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-(dimethylsulfamoylamino)benzene-1,3-dicarboxylate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-(dimethylsulfamoylamino)benzene-1,3-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 5-(dimethylsulfamoylamino)benzene-1,3-dicarboxylate has 1 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 Dimethyl 5-(dimethylsulfamoylamino)benzene-1,3-dicarboxylate?
The CAS number of Dimethyl 5-(dimethylsulfamoylamino)benzene-1,3-dicarboxylate is 349419-60-9.
What is the molecular formula of Dimethyl 5-(dimethylsulfamoylamino)benzene-1,3-dicarboxylate?
The molecular formula of Dimethyl 5-(dimethylsulfamoylamino)benzene-1,3-dicarboxylate is C12H16N2O6S.
What is the molecular weight of Dimethyl 5-(dimethylsulfamoylamino)benzene-1,3-dicarboxylate?
The molecular weight of Dimethyl 5-(dimethylsulfamoylamino)benzene-1,3-dicarboxylate is 316.07 g/mol.
Where can I buy Dimethyl 5-(dimethylsulfamoylamino)benzene-1,3-dicarboxylate?
You can request a quote for Dimethyl 5-(dimethylsulfamoylamino)benzene-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-(dimethylsulfamoylamino)benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-(dimethylsulfamoylamino)benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.