Benzoic acid, 3,3'-(iminobis(sulfonyl))bis-, 1,1'-dimethyl ester
TL;DR: Benzoic acid, 3,3'-(iminobis(sulfonyl))bis-, 1,1'-dimethyl ester (CAS 23847-25-8) is a chemical compound with molecular formula C16H15NO8S2 and molecular weight 413.0239 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-[(3-methoxycarbonylphenyl)sulfonylsulfamoyl]benzoate
Also Known As: Dimethyl 3,3'-(iminodisulfonyl)dibenzoate, 3,3'-[iminobis]dibenzoicaciddimethylester, 3,3'-[Iminobis ]dibenzoicaciddimethylester, Benzoic acid, 3,3'-(iminobis(sulfonyl))bis-, 1,1'-dimethyl ester, Benzoic acid, 3,3'-(iminobis(sulfonyl))bis-, dimethyl ester
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H15NO8S2 |
| Molecular Weight | 413.0239 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 150.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.0239 Da |
| Heavy Atoms | 27 |
| Complexity | 686.0 |
| SMILES | COC(=O)C1=CC(=CC=C1)S(=O)(=O)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OC |
| InChIKey | PZEGPNRDFAKEMO-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 3,3'-(iminobis(sulfonyl))bis-, 1,1'-dimethyl ester
Property Insights of Benzoic acid, 3,3'-(iminobis(sulfonyl))bis-, 1,1'-dimethyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3,3'-(iminobis(sulfonyl))bis-, 1,1'-dimethyl ester. The TPSA of 150.0 Ų indicates high polarity, suggesting Benzoic acid, 3,3'-(iminobis(sulfonyl))bis-, 1,1'-dimethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 3,3'-(iminobis(sulfonyl))bis-, 1,1'-dimethyl ester 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
What is the CAS number of Benzoic acid, 3,3'-(iminobis(sulfonyl))bis-, 1,1'-dimethyl ester?
The CAS number of Benzoic acid, 3,3'-(iminobis(sulfonyl))bis-, 1,1'-dimethyl ester is 23847-25-8.
What is the molecular formula of Benzoic acid, 3,3'-(iminobis(sulfonyl))bis-, 1,1'-dimethyl ester?
The molecular formula of Benzoic acid, 3,3'-(iminobis(sulfonyl))bis-, 1,1'-dimethyl ester is C16H15NO8S2.
What is the molecular weight of Benzoic acid, 3,3'-(iminobis(sulfonyl))bis-, 1,1'-dimethyl ester?
The molecular weight of Benzoic acid, 3,3'-(iminobis(sulfonyl))bis-, 1,1'-dimethyl ester is 413.0239 g/mol.
Where can I buy Benzoic acid, 3,3'-(iminobis(sulfonyl))bis-, 1,1'-dimethyl ester?
You can request a quote for Benzoic acid, 3,3'-(iminobis(sulfonyl))bis-, 1,1'-dimethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 3,3'-(iminobis(sulfonyl))bis-, 1,1'-dimethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 3,3'-(iminobis(sulfonyl))bis-, 1,1'-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.