Tert-butyl isopropylcarbamate
TL;DR: Tert-butyl isopropylcarbamate (CAS 51170-55-9) is a chemical compound with molecular formula C8H17NO2 and molecular weight 159.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-propan-2-ylcarbamate
Also Known As: tert-butyl N-(propan-2-yl)carbamate, TERT-BUTYL ISOPROPYLCARBAMATE, Tert-butyl N-propan-2-ylcarbamate, N-Boc-propan-2-amine, Mirogabalin Impurity 50
| Molecular Formula | C8H17NO2 |
|---|---|
| Molecular Weight | 159.13 g/mol |
| LogP | 1.9195 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.12593 |
| Heavy Atoms | 11 |
| Complexity | 135.51772 |
Chemical Identifiers
| CAS Number | 51170-55-9 |
|---|---|
| SMILES | CC(C)NC(=O)OC(C)(C)C |
Product Overview
Tert-butyl isopropylcarbamate (CAS 51170-55-9), with molecular formula C8H17NO2 and molecular weight 159.13 g/mol. IUPAC: tert-butyl N-propan-2-ylcarbamate.
Chemical Property Profile of Tert-butyl isopropylcarbamate
Property Insights of Tert-butyl isopropylcarbamate
The XLogP value of 1.9195 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl isopropylcarbamate. With a topological polar surface area (TPSA) of 38.33 Ų, Tert-butyl isopropylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl isopropylcarbamate 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 Tert-butyl isopropylcarbamate?
The CAS number of Tert-butyl isopropylcarbamate is 51170-55-9.
What is the molecular formula of Tert-butyl isopropylcarbamate?
The molecular formula of Tert-butyl isopropylcarbamate is C8H17NO2.
What is the molecular weight of Tert-butyl isopropylcarbamate?
The molecular weight of Tert-butyl isopropylcarbamate is 159.13 g/mol.
Where can I buy Tert-butyl isopropylcarbamate?
You can request a quote for Tert-butyl isopropylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl isopropylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl isopropylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.