叔丁基氨基甲酸酯
TL;DR: 叔丁基氨基甲酸酯 (CAS 4248-19-5) is a chemical compound with molecular formula C5H11NO2 and molecular weight 117.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
叔丁基氨基甲酸酯
tert-butyl carbamate
Also Known As: tert-Butyl carbamate, T-butyl carbamate, Boc-amide, Boc amine, tert-butylcarbamat
| Molecular Formula | C5H11NO2 |
|---|---|
| Molecular Weight | 117.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 117.07898 |
| Heavy Atoms | 8 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 4248-19-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N |
| InChIKey | LFKDJXLFVYVEFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
叔丁基氨基甲酸酯 (CAS 4248-19-5), with molecular formula C5H11NO2 and molecular weight 117.08 g/mol. IUPAC: tert-butyl carbamate.
Chemical Property Profile of 叔丁基氨基甲酸酯
Property Insights of 叔丁基氨基甲酸酯
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 叔丁基氨基甲酸酯. With a topological polar surface area (TPSA) of 52.3 Ų, 叔丁基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 叔丁基氨基甲酸酯 has 1 hydrogen bond donor(s) and 2 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 叔丁基氨基甲酸酯?
The CAS number of 叔丁基氨基甲酸酯 is 4248-19-5.
What is the molecular formula of 叔丁基氨基甲酸酯?
The molecular formula of 叔丁基氨基甲酸酯 is C5H11NO2.
What is the molecular weight of 叔丁基氨基甲酸酯?
The molecular weight of 叔丁基氨基甲酸酯 is 117.08 g/mol.
Where can I buy 叔丁基氨基甲酸酯?
You can request a quote for 叔丁基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 叔丁基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 叔丁基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.