1,1-Dioxidotetrahydrothiophene-3,4-diyl bis(phenylcarbamate)
TL;DR: 1,1-Dioxidotetrahydrothiophene-3,4-diyl bis(phenylcarbamate) (CAS 77691-87-3) is a chemical compound with molecular formula C18H18N2O6S and molecular weight 390.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,1-dioxo-4-(phenylcarbamoyloxy)thiolan-3-yl] N-phenylcarbamate
Also Known As: 1,1-dioxidotetrahydrothiophene-3,4-diyl bis(phenylcarbamate), [1,1-dioxo-4-(phenylcarbamoyloxy)thiolan-3-yl] N-phenylcarbamate
| Molecular Formula | C18H18N2O6S |
|---|---|
| Molecular Weight | 390.09 g/mol |
| LogP | 2.6494 |
| Topological Polar Surface Area | 110.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.08856 |
| Heavy Atoms | 27 |
| Complexity | 832.4638 |
Chemical Identifiers
| CAS Number | 77691-87-3 |
|---|---|
| SMILES | C1C(C(CS1(=O)=O)OC(=O)NC2=CC=CC=C2)OC(=O)NC3=CC=CC=C3 |
Product Overview
1,1-Dioxidotetrahydrothiophene-3,4-diyl bis(phenylcarbamate) (CAS 77691-87-3), with molecular formula C18H18N2O6S and molecular weight 390.09 g/mol. IUPAC: [1,1-dioxo-4-(phenylcarbamoyloxy)thiolan-3-yl] N-phenylcarbamate.
Chemical Property Profile of 1,1-Dioxidotetrahydrothiophene-3,4-diyl bis(phenylcarbamate)
Property Insights of 1,1-Dioxidotetrahydrothiophene-3,4-diyl bis(phenylcarbamate)
The XLogP value of 2.6494 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dioxidotetrahydrothiophene-3,4-diyl bis(phenylcarbamate). The TPSA of 110.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dioxidotetrahydrothiophene-3,4-diyl bis(phenylcarbamate). Following Lipinski's Rule of Five, 1,1-Dioxidotetrahydrothiophene-3,4-diyl bis(phenylcarbamate) has 2 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-Dioxidotetrahydrothiophene-3,4-diyl bis(phenylcarbamate)?
The CAS number of 1,1-Dioxidotetrahydrothiophene-3,4-diyl bis(phenylcarbamate) is 77691-87-3.
What is the molecular formula of 1,1-Dioxidotetrahydrothiophene-3,4-diyl bis(phenylcarbamate)?
The molecular formula of 1,1-Dioxidotetrahydrothiophene-3,4-diyl bis(phenylcarbamate) is C18H18N2O6S.
What is the molecular weight of 1,1-Dioxidotetrahydrothiophene-3,4-diyl bis(phenylcarbamate)?
The molecular weight of 1,1-Dioxidotetrahydrothiophene-3,4-diyl bis(phenylcarbamate) is 390.09 g/mol.
Where can I buy 1,1-Dioxidotetrahydrothiophene-3,4-diyl bis(phenylcarbamate)?
You can request a quote for 1,1-Dioxidotetrahydrothiophene-3,4-diyl bis(phenylcarbamate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dioxidotetrahydrothiophene-3,4-diyl bis(phenylcarbamate)?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dioxidotetrahydrothiophene-3,4-diyl bis(phenylcarbamate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.