Benzyl (5-oxotetrahydrofuran-3-yl)carbamate
TL;DR: Benzyl (5-oxotetrahydrofuran-3-yl)carbamate (CAS 116423-07-5) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-(5-oxooxolan-3-yl)carbamate
Also Known As: Pemeride, Benzyl (5-oxotetrahydrofuran-3-yl)carbamate, benzyl N-(5-oxooxolan-3-yl)carbamate, cbz-s-3-amino-, A-butyrolactone
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 116423-07-5 |
|---|---|
| SMILES | C1C(COC1=O)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | BNIBNUOPVTZWRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl (5-oxotetrahydrofuran-3-yl)carbamate (CAS 116423-07-5), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: benzyl N-(5-oxooxolan-3-yl)carbamate.
Chemical Property Profile of Benzyl (5-oxotetrahydrofuran-3-yl)carbamate
Property Insights of Benzyl (5-oxotetrahydrofuran-3-yl)carbamate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl (5-oxotetrahydrofuran-3-yl)carbamate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl (5-oxotetrahydrofuran-3-yl)carbamate. Following Lipinski's Rule of Five, Benzyl (5-oxotetrahydrofuran-3-yl)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 Benzyl (5-oxotetrahydrofuran-3-yl)carbamate?
The CAS number of Benzyl (5-oxotetrahydrofuran-3-yl)carbamate is 116423-07-5.
What is the molecular formula of Benzyl (5-oxotetrahydrofuran-3-yl)carbamate?
The molecular formula of Benzyl (5-oxotetrahydrofuran-3-yl)carbamate is C12H13NO4.
What is the molecular weight of Benzyl (5-oxotetrahydrofuran-3-yl)carbamate?
The molecular weight of Benzyl (5-oxotetrahydrofuran-3-yl)carbamate is 235.08 g/mol.
Where can I buy Benzyl (5-oxotetrahydrofuran-3-yl)carbamate?
You can request a quote for Benzyl (5-oxotetrahydrofuran-3-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl (5-oxotetrahydrofuran-3-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl (5-oxotetrahydrofuran-3-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.