1,1-Dioxido-2,3-dihydrothiophen-3-yl phenyl carbonate
TL;DR: 1,1-Dioxido-2,3-dihydrothiophen-3-yl phenyl carbonate (CAS 77691-84-0) is a chemical compound with molecular formula C11H10O5S and molecular weight 254.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-dioxo-2,3-dihydrothiophen-3-yl) phenyl carbonate
Also Known As: ChemDiv2_001073, 1,1-dioxido-2,3-dihydrothiophen-3-yl phenyl carbonate, 1,1-dioxido-2,3-dihydrothien-3-yl phenyl carbonate, (1,1-dioxo-2,3-dihydrothiophen-3-yl) phenyl carbonate
| Molecular Formula | C11H10O5S |
|---|---|
| Molecular Weight | 254.02 g/mol |
| LogP | 1.5127 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.02489 |
| Heavy Atoms | 17 |
| Complexity | 532.24005 |
Chemical Identifiers
| CAS Number | 77691-84-0 |
|---|---|
| SMILES | C1C(C=CS1(=O)=O)OC(=O)OC2=CC=CC=C2 |
Product Overview
1,1-Dioxido-2,3-dihydrothiophen-3-yl phenyl carbonate (CAS 77691-84-0), with molecular formula C11H10O5S and molecular weight 254.02 g/mol. IUPAC: (1,1-dioxo-2,3-dihydrothiophen-3-yl) phenyl carbonate.
Chemical Property Profile of 1,1-Dioxido-2,3-dihydrothiophen-3-yl phenyl carbonate
Property Insights of 1,1-Dioxido-2,3-dihydrothiophen-3-yl phenyl carbonate
The XLogP value of 1.5127 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dioxido-2,3-dihydrothiophen-3-yl phenyl carbonate. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dioxido-2,3-dihydrothiophen-3-yl phenyl carbonate. Following Lipinski's Rule of Five, 1,1-Dioxido-2,3-dihydrothiophen-3-yl phenyl carbonate has 0 hydrogen bond donor(s) and 5 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-Dioxido-2,3-dihydrothiophen-3-yl phenyl carbonate?
The CAS number of 1,1-Dioxido-2,3-dihydrothiophen-3-yl phenyl carbonate is 77691-84-0.
What is the molecular formula of 1,1-Dioxido-2,3-dihydrothiophen-3-yl phenyl carbonate?
The molecular formula of 1,1-Dioxido-2,3-dihydrothiophen-3-yl phenyl carbonate is C11H10O5S.
What is the molecular weight of 1,1-Dioxido-2,3-dihydrothiophen-3-yl phenyl carbonate?
The molecular weight of 1,1-Dioxido-2,3-dihydrothiophen-3-yl phenyl carbonate is 254.02 g/mol.
Where can I buy 1,1-Dioxido-2,3-dihydrothiophen-3-yl phenyl carbonate?
You can request a quote for 1,1-Dioxido-2,3-dihydrothiophen-3-yl phenyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dioxido-2,3-dihydrothiophen-3-yl phenyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dioxido-2,3-dihydrothiophen-3-yl phenyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.