N-tert-butylisobutyramide
TL;DR: N-tert-butylisobutyramide (CAS 7472-49-3) is a chemical compound with molecular formula C8H17NO and molecular weight 143.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-2-methylpropanamide
Also Known As: N-tert-butylisobutyramide, N-tert-butyl-2-methylpropanamide, N-(tert-Butyl)isobutyramide, Isobutyramide, N-tert-butyl-, N-TERT-BUTYL-ISOBUTYRAMIDE
| Molecular Formula | C8H17NO |
|---|---|
| Molecular Weight | 143.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 143.13101 |
| Heavy Atoms | 10 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 7472-49-3 |
|---|---|
| SMILES | CC(C)C(=O)NC(C)(C)C |
| InChIKey | OEIZGTXQZLSLFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-tert-butylisobutyramide (CAS 7472-49-3), with molecular formula C8H17NO and molecular weight 143.13 g/mol. IUPAC: N-tert-butyl-2-methylpropanamide.
Chemical Property Profile of N-tert-butylisobutyramide
Property Insights of N-tert-butylisobutyramide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-butylisobutyramide. With a topological polar surface area (TPSA) of 29.1 Ų, N-tert-butylisobutyramide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-tert-butylisobutyramide has 1 hydrogen bond donor(s) and 1 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 N-tert-butylisobutyramide?
The CAS number of N-tert-butylisobutyramide is 7472-49-3.
What is the molecular formula of N-tert-butylisobutyramide?
The molecular formula of N-tert-butylisobutyramide is C8H17NO.
What is the molecular weight of N-tert-butylisobutyramide?
The molecular weight of N-tert-butylisobutyramide is 143.13 g/mol.
Where can I buy N-tert-butylisobutyramide?
You can request a quote for N-tert-butylisobutyramide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-butylisobutyramide?
Yes, KEHONG BIO provides custom synthesis services for N-tert-butylisobutyramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.