4-Methyl-1,1-dioxidotetrahydrothiophen-3-yl 3-nitrobenzenesulfonate
TL;DR: 4-Methyl-1,1-dioxidotetrahydrothiophen-3-yl 3-nitrobenzenesulfonate (CAS 321580-62-5) is a chemical compound with molecular formula C11H13NO7S2 and molecular weight 335.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-1,1-dioxothiolan-3-yl) 3-nitrobenzenesulfonate
Also Known As: AE-848/31847050, (4-methyl-1,1-dioxothiolan-3-yl) 3-nitrobenzenesulfonate, 4-methyl-1,1-dioxidotetrahydro-3-thienyl 3-nitrobenzenesulfonate, 4-methyl-1,1-dioxidotetrahydrothiophen-3-yl 3-nitrobenzenesulfonate
| Molecular Formula | C11H13NO7S2 |
|---|---|
| Molecular Weight | 335.01 g/mol |
| LogP | 0.7332 |
| Topological Polar Surface Area | 120.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.01334 |
| Heavy Atoms | 21 |
| Complexity | 769.5164 |
Chemical Identifiers
| CAS Number | 321580-62-5 |
|---|---|
| SMILES | CC1CS(=O)(=O)CC1OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] |
Product Overview
4-Methyl-1,1-dioxidotetrahydrothiophen-3-yl 3-nitrobenzenesulfonate (CAS 321580-62-5), with molecular formula C11H13NO7S2 and molecular weight 335.01 g/mol. IUPAC: (4-methyl-1,1-dioxothiolan-3-yl) 3-nitrobenzenesulfonate.
Chemical Property Profile of 4-Methyl-1,1-dioxidotetrahydrothiophen-3-yl 3-nitrobenzenesulfonate
Property Insights of 4-Methyl-1,1-dioxidotetrahydrothiophen-3-yl 3-nitrobenzenesulfonate
The XLogP value of 0.7332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-1,1-dioxidotetrahydrothiophen-3-yl 3-nitrobenzenesulfonate. The TPSA of 120.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-1,1-dioxidotetrahydrothiophen-3-yl 3-nitrobenzenesulfonate. Following Lipinski's Rule of Five, 4-Methyl-1,1-dioxidotetrahydrothiophen-3-yl 3-nitrobenzenesulfonate has 0 hydrogen bond donor(s) and 7 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-Methyl-1,1-dioxidotetrahydrothiophen-3-yl 3-nitrobenzenesulfonate?
The CAS number of 4-Methyl-1,1-dioxidotetrahydrothiophen-3-yl 3-nitrobenzenesulfonate is 321580-62-5.
What is the molecular formula of 4-Methyl-1,1-dioxidotetrahydrothiophen-3-yl 3-nitrobenzenesulfonate?
The molecular formula of 4-Methyl-1,1-dioxidotetrahydrothiophen-3-yl 3-nitrobenzenesulfonate is C11H13NO7S2.
What is the molecular weight of 4-Methyl-1,1-dioxidotetrahydrothiophen-3-yl 3-nitrobenzenesulfonate?
The molecular weight of 4-Methyl-1,1-dioxidotetrahydrothiophen-3-yl 3-nitrobenzenesulfonate is 335.01 g/mol.
Where can I buy 4-Methyl-1,1-dioxidotetrahydrothiophen-3-yl 3-nitrobenzenesulfonate?
You can request a quote for 4-Methyl-1,1-dioxidotetrahydrothiophen-3-yl 3-nitrobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-1,1-dioxidotetrahydrothiophen-3-yl 3-nitrobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-1,1-dioxidotetrahydrothiophen-3-yl 3-nitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.