N-Isopropylisobutyramide
TL;DR: N-Isopropylisobutyramide (CAS 869-07-8) is a chemical compound with molecular formula C7H15NO and molecular weight 129.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-propan-2-ylpropanamide
Also Known As: N-Isopropylisobutyramide, N-Isopropyl-2-methylpropanamide, N1-isopropyl-2-methylpropanamide, 3-Methoxyphenylalanine, 2-methyl-N-propan-2-ylpropanamide
| Molecular Formula | C7H15NO |
|---|---|
| Molecular Weight | 129.12 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 129.11537 |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 869-07-8 |
|---|---|
| SMILES | CC(C)C(=O)NC(C)C |
| InChIKey | IGZDXYHMGWRJAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Isopropylisobutyramide (CAS 869-07-8), with molecular formula C7H15NO and molecular weight 129.12 g/mol. IUPAC: 2-methyl-N-propan-2-ylpropanamide.
Chemical Property Profile of N-Isopropylisobutyramide
Property Insights of N-Isopropylisobutyramide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Isopropylisobutyramide. With a topological polar surface area (TPSA) of 29.1 Ų, N-Isopropylisobutyramide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Isopropylisobutyramide 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-Isopropylisobutyramide?
The CAS number of N-Isopropylisobutyramide is 869-07-8.
What is the molecular formula of N-Isopropylisobutyramide?
The molecular formula of N-Isopropylisobutyramide is C7H15NO.
What is the molecular weight of N-Isopropylisobutyramide?
The molecular weight of N-Isopropylisobutyramide is 129.12 g/mol.
Where can I buy N-Isopropylisobutyramide?
You can request a quote for N-Isopropylisobutyramide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Isopropylisobutyramide?
Yes, KEHONG BIO provides custom synthesis services for N-Isopropylisobutyramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.