Butyl tert-butylcarbamate
TL;DR: Butyl tert-butylcarbamate (CAS 25849-97-2) is a chemical compound with molecular formula C9H19NO2 and molecular weight 173.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl N-tert-butylcarbamate
Also Known As: butyl tert-butylcarbamate, butyl N-tert-butylcarbamate, BUTYL-N-tert-BUTYL CARBAMATE, butyl N-tert.-butylcarbamate, tert-Butylcarbamic acid butyl ester
| Molecular Formula | C9H19NO2 |
|---|---|
| Molecular Weight | 173.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 173.14159 |
| Heavy Atoms | 12 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 25849-97-2 |
|---|---|
| SMILES | CCCCOC(=O)NC(C)(C)C |
| InChIKey | LQELBWUBHZPYML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl tert-butylcarbamate (CAS 25849-97-2), with molecular formula C9H19NO2 and molecular weight 173.14 g/mol. IUPAC: butyl N-tert-butylcarbamate.
Chemical Property Profile of Butyl tert-butylcarbamate
Property Insights of Butyl tert-butylcarbamate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl tert-butylcarbamate. With a topological polar surface area (TPSA) of 38.3 Ų, Butyl tert-butylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl tert-butylcarbamate 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 Butyl tert-butylcarbamate?
The CAS number of Butyl tert-butylcarbamate is 25849-97-2.
What is the molecular formula of Butyl tert-butylcarbamate?
The molecular formula of Butyl tert-butylcarbamate is C9H19NO2.
What is the molecular weight of Butyl tert-butylcarbamate?
The molecular weight of Butyl tert-butylcarbamate is 173.14 g/mol.
Where can I buy Butyl tert-butylcarbamate?
You can request a quote for Butyl tert-butylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl tert-butylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Butyl tert-butylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.