![2-[N-(1,1-dioxothiolan-3-yl)carbamoyl]phenyl acetate structure](/static/products/866/866238-77-9.png)
2-[N-(1,1-dioxothiolan-3-yl)carbamoyl]phenyl acetate
TL;DR: 2-[N-(1,1-dioxothiolan-3-yl)carbamoyl]phenyl acetate (CAS 866238-77-9) is a chemical compound with molecular formula C13H15NO5S and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1,1-dioxothiolan-3-yl)carbamoyl]phenyl] acetate
Also Known As: [2-[(1,1-dioxothiolan-3-yl)carbamoyl]phenyl] acetate|2-[N-(1,1-dioxothiolan-3-yl)carbamoyl]phenyl acetate|2-((1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl)phenyl acetate|2-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]phenyl acetate
| Molecular Formula | C13H15NO5S |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 0.5288 |
| Topological Polar Surface Area | 89.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.0671 |
| Heavy Atoms | 20 |
| Complexity | 637.9165 |
Chemical Identifiers
| CAS Number | 866238-77-9 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)NC2CCS(=O)(=O)C2 |
Product Overview
2-[N-(1,1-dioxothiolan-3-yl)carbamoyl]phenyl acetate (CAS 866238-77-9), with molecular formula C13H15NO5S and molecular weight 297.07 g/mol. IUPAC: [2-[(1,1-dioxothiolan-3-yl)carbamoyl]phenyl] acetate.
Chemical Property Profile of 2-[N-(1,1-dioxothiolan-3-yl)carbamoyl]phenyl acetate
Property Insights of 2-[N-(1,1-dioxothiolan-3-yl)carbamoyl]phenyl acetate
The XLogP value of 0.5288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[N-(1,1-dioxothiolan-3-yl)carbamoyl]phenyl acetate. The TPSA of 89.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[N-(1,1-dioxothiolan-3-yl)carbamoyl]phenyl acetate. Following Lipinski's Rule of Five, 2-[N-(1,1-dioxothiolan-3-yl)carbamoyl]phenyl acetate has 1 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 2-[N-(1,1-dioxothiolan-3-yl)carbamoyl]phenyl acetate?
The CAS number of 2-[N-(1,1-dioxothiolan-3-yl)carbamoyl]phenyl acetate is 866238-77-9.
What is the molecular formula of 2-[N-(1,1-dioxothiolan-3-yl)carbamoyl]phenyl acetate?
The molecular formula of 2-[N-(1,1-dioxothiolan-3-yl)carbamoyl]phenyl acetate is C13H15NO5S.
What is the molecular weight of 2-[N-(1,1-dioxothiolan-3-yl)carbamoyl]phenyl acetate?
The molecular weight of 2-[N-(1,1-dioxothiolan-3-yl)carbamoyl]phenyl acetate is 297.07 g/mol.
Where can I buy 2-[N-(1,1-dioxothiolan-3-yl)carbamoyl]phenyl acetate?
You can request a quote for 2-[N-(1,1-dioxothiolan-3-yl)carbamoyl]phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[N-(1,1-dioxothiolan-3-yl)carbamoyl]phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[N-(1,1-dioxothiolan-3-yl)carbamoyl]phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.