N-tert-Octylacrylamide
TL;DR: N-tert-Octylacrylamide (CAS 4223-03-4) is a chemical compound with molecular formula C11H21NO and molecular weight 183.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
Also Known As: N-tert-Octylacrylamide, tert-Octylacrylamide, t-octyl acrylamide, N-t-octylacrylamide, N-tertoctylacrylamide
| Molecular Formula | C11H21NO |
|---|---|
| Molecular Weight | 183.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 183.16231 |
| Heavy Atoms | 13 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 4223-03-4 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)NC(=O)C=C |
| InChIKey | YRDNVESFWXDNSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-tert-Octylacrylamide (CAS 4223-03-4), with molecular formula C11H21NO and molecular weight 183.16 g/mol. IUPAC: N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide.
Chemical Property Profile of N-tert-Octylacrylamide
Property Insights of N-tert-Octylacrylamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-Octylacrylamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-tert-Octylacrylamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-tert-Octylacrylamide 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-Octylacrylamide?
The CAS number of N-tert-Octylacrylamide is 4223-03-4.
What is the molecular formula of N-tert-Octylacrylamide?
The molecular formula of N-tert-Octylacrylamide is C11H21NO.
What is the molecular weight of N-tert-Octylacrylamide?
The molecular weight of N-tert-Octylacrylamide is 183.16 g/mol.
Where can I buy N-tert-Octylacrylamide?
You can request a quote for N-tert-Octylacrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-Octylacrylamide?
Yes, KEHONG BIO provides custom synthesis services for N-tert-Octylacrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.