1,1-Dioxidotetrahydrothiophen-3-yl 4-nitrobenzoate
TL;DR: 1,1-Dioxidotetrahydrothiophen-3-yl 4-nitrobenzoate (CAS 57705-54-1) is a chemical compound with molecular formula C11H11NO6S and molecular weight 285.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-dioxothiolan-3-yl) 4-nitrobenzoate
Also Known As: 1,1-dioxothiolan-3-yl 4-nitrobenzoate, BAS 00617336, (1,1-dioxothiolan-3-yl) 4-nitrobenzoate, 1,1-dioxidotetrahydrothiophen-3-yl 4-nitrobenzoate, 4-Nitro-benzoic acid 1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl ester
| Molecular Formula | C11H11NO6S |
|---|---|
| Molecular Weight | 285.03 g/mol |
| LogP | 0.9387 |
| Topological Polar Surface Area | 103.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.0307 |
| Heavy Atoms | 19 |
| Complexity | 606.5775 |
Chemical Identifiers
| CAS Number | 57705-54-1 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
1,1-Dioxidotetrahydrothiophen-3-yl 4-nitrobenzoate (CAS 57705-54-1), with molecular formula C11H11NO6S and molecular weight 285.03 g/mol. IUPAC: (1,1-dioxothiolan-3-yl) 4-nitrobenzoate.
Chemical Property Profile of 1,1-Dioxidotetrahydrothiophen-3-yl 4-nitrobenzoate
Property Insights of 1,1-Dioxidotetrahydrothiophen-3-yl 4-nitrobenzoate
The XLogP value of 0.9387 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dioxidotetrahydrothiophen-3-yl 4-nitrobenzoate. The TPSA of 103.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dioxidotetrahydrothiophen-3-yl 4-nitrobenzoate. Following Lipinski's Rule of Five, 1,1-Dioxidotetrahydrothiophen-3-yl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 6 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 1,1-Dioxidotetrahydrothiophen-3-yl 4-nitrobenzoate?
The CAS number of 1,1-Dioxidotetrahydrothiophen-3-yl 4-nitrobenzoate is 57705-54-1.
What is the molecular formula of 1,1-Dioxidotetrahydrothiophen-3-yl 4-nitrobenzoate?
The molecular formula of 1,1-Dioxidotetrahydrothiophen-3-yl 4-nitrobenzoate is C11H11NO6S.
What is the molecular weight of 1,1-Dioxidotetrahydrothiophen-3-yl 4-nitrobenzoate?
The molecular weight of 1,1-Dioxidotetrahydrothiophen-3-yl 4-nitrobenzoate is 285.03 g/mol.
Where can I buy 1,1-Dioxidotetrahydrothiophen-3-yl 4-nitrobenzoate?
You can request a quote for 1,1-Dioxidotetrahydrothiophen-3-yl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dioxidotetrahydrothiophen-3-yl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dioxidotetrahydrothiophen-3-yl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.