Phenyl ((1,1-dioxidotetrahydrothiophen-3-yl)methyl)carbamate
TL;DR: Phenyl ((1,1-dioxidotetrahydrothiophen-3-yl)methyl)carbamate (CAS 28800-44-4) is a chemical compound with molecular formula C12H15NO4S and molecular weight 269.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl N-[(1,1-dioxothiolan-3-yl)methyl]carbamate
Also Known As: phenyl N-[(1,1-dioxothiolan-3-yl)methyl]carbamate, PHENYL N-[(1,1-DIOXO-1??-THIOLAN-3-YL)METHYL]CARBAMATE, N-[(1-hydroxy-1-oxothiolan-3-yl)methyl]phenoxycarboxamide, phenyl ((1,1-dioxidotetrahydrothiophen-3-yl)methyl)carbamate, phenyl [(1,1-dioxidotetrahydrothiophen-3-yl)methyl]carbamate
| Molecular Formula | C12H15NO4S |
|---|---|
| Molecular Weight | 269.07 g/mol |
| LogP | 1.2097 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.07217 |
| Heavy Atoms | 18 |
| Complexity | 512.1388 |
Chemical Identifiers
| CAS Number | 28800-44-4 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1CNC(=O)OC2=CC=CC=C2 |
Product Overview
Phenyl ((1,1-dioxidotetrahydrothiophen-3-yl)methyl)carbamate (CAS 28800-44-4), with molecular formula C12H15NO4S and molecular weight 269.07 g/mol. IUPAC: phenyl N-[(1,1-dioxothiolan-3-yl)methyl]carbamate.
Chemical Property Profile of Phenyl ((1,1-dioxidotetrahydrothiophen-3-yl)methyl)carbamate
Property Insights of Phenyl ((1,1-dioxidotetrahydrothiophen-3-yl)methyl)carbamate
The XLogP value of 1.2097 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl ((1,1-dioxidotetrahydrothiophen-3-yl)methyl)carbamate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl ((1,1-dioxidotetrahydrothiophen-3-yl)methyl)carbamate. Following Lipinski's Rule of Five, Phenyl ((1,1-dioxidotetrahydrothiophen-3-yl)methyl)carbamate has 1 hydrogen bond donor(s) and 4 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 Phenyl ((1,1-dioxidotetrahydrothiophen-3-yl)methyl)carbamate?
The CAS number of Phenyl ((1,1-dioxidotetrahydrothiophen-3-yl)methyl)carbamate is 28800-44-4.
What is the molecular formula of Phenyl ((1,1-dioxidotetrahydrothiophen-3-yl)methyl)carbamate?
The molecular formula of Phenyl ((1,1-dioxidotetrahydrothiophen-3-yl)methyl)carbamate is C12H15NO4S.
What is the molecular weight of Phenyl ((1,1-dioxidotetrahydrothiophen-3-yl)methyl)carbamate?
The molecular weight of Phenyl ((1,1-dioxidotetrahydrothiophen-3-yl)methyl)carbamate is 269.07 g/mol.
Where can I buy Phenyl ((1,1-dioxidotetrahydrothiophen-3-yl)methyl)carbamate?
You can request a quote for Phenyl ((1,1-dioxidotetrahydrothiophen-3-yl)methyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl ((1,1-dioxidotetrahydrothiophen-3-yl)methyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl ((1,1-dioxidotetrahydrothiophen-3-yl)methyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.