N-allyl-2-(4-chlorophenoxy)-2-methylpropanamide
TL;DR: N-allyl-2-(4-chlorophenoxy)-2-methylpropanamide (CAS 5658-73-1) is a chemical compound with molecular formula C13H16ClNO2 and molecular weight 253.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenoxy)-2-methyl-N-prop-2-enylpropanamide
Also Known As: N-allyl-2-(4-chlorophenoxy)-2-methylpropanamide, 2-(4-chlorophenoxy)-2-methyl-N-(prop-2-en-1-yl)propanamide, 2-(4-chlorophenoxy)-2-methyl-N-prop-2-enylpropanamide, AO-081/41933792
| Molecular Formula | C13H16ClNO2 |
|---|---|
| Molecular Weight | 253.09 g/mol |
| LogP | 2.7996 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.08696 |
| Heavy Atoms | 17 |
| Complexity | 398.3854 |
Chemical Identifiers
| CAS Number | 5658-73-1 |
|---|---|
| SMILES | CC(C)(C(=O)NCC=C)OC1=CC=C(C=C1)Cl |
Product Overview
N-allyl-2-(4-chlorophenoxy)-2-methylpropanamide (CAS 5658-73-1), with molecular formula C13H16ClNO2 and molecular weight 253.09 g/mol. IUPAC: 2-(4-chlorophenoxy)-2-methyl-N-prop-2-enylpropanamide.
Chemical Property Profile of N-allyl-2-(4-chlorophenoxy)-2-methylpropanamide
Property Insights of N-allyl-2-(4-chlorophenoxy)-2-methylpropanamide
The XLogP value of 2.7996 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-2-(4-chlorophenoxy)-2-methylpropanamide. With a topological polar surface area (TPSA) of 38.33 Ų, N-allyl-2-(4-chlorophenoxy)-2-methylpropanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-2-(4-chlorophenoxy)-2-methylpropanamide 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 N-allyl-2-(4-chlorophenoxy)-2-methylpropanamide?
The CAS number of N-allyl-2-(4-chlorophenoxy)-2-methylpropanamide is 5658-73-1.
What is the molecular formula of N-allyl-2-(4-chlorophenoxy)-2-methylpropanamide?
The molecular formula of N-allyl-2-(4-chlorophenoxy)-2-methylpropanamide is C13H16ClNO2.
What is the molecular weight of N-allyl-2-(4-chlorophenoxy)-2-methylpropanamide?
The molecular weight of N-allyl-2-(4-chlorophenoxy)-2-methylpropanamide is 253.09 g/mol.
Where can I buy N-allyl-2-(4-chlorophenoxy)-2-methylpropanamide?
You can request a quote for N-allyl-2-(4-chlorophenoxy)-2-methylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-2-(4-chlorophenoxy)-2-methylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-2-(4-chlorophenoxy)-2-methylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.