N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-3-methylphenoxy)propanamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-3-methylphenoxy)propanamide (CAS 876898-79-2) is a chemical compound with molecular formula C18H18ClNO4 and molecular weight 347.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-3-methylphenoxy)propanamide
Also Known As: BAS 12520374, N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-3-methylphenoxy)propanamide, N-Benzo[1,3]dioxol-5-ylmethyl-2-(4-chloro-3-methyl-phenoxy)-propionamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(4-chloro-3-methylphenoxy)propanamide
| Molecular Formula | C18H18ClNO4 |
|---|---|
| Molecular Weight | 347.09 g/mol |
| LogP | 3.46082 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.09244 |
| Heavy Atoms | 24 |
| Complexity | 762.67914 |
Chemical Identifiers
| CAS Number | 876898-79-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)Cl |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-3-methylphenoxy)propanamide (CAS 876898-79-2), with molecular formula C18H18ClNO4 and molecular weight 347.09 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-3-methylphenoxy)propanamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-3-methylphenoxy)propanamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-3-methylphenoxy)propanamide
The XLogP value of 3.46082 indicates that N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-3-methylphenoxy)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.79 Ų, N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-3-methylphenoxy)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-3-methylphenoxy)propanamide has 1 hydrogen bond donor(s) and 4 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-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-3-methylphenoxy)propanamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-3-methylphenoxy)propanamide is 876898-79-2.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-3-methylphenoxy)propanamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-3-methylphenoxy)propanamide is C18H18ClNO4.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-3-methylphenoxy)propanamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-3-methylphenoxy)propanamide is 347.09 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-3-methylphenoxy)propanamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-3-methylphenoxy)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-3-methylphenoxy)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-3-methylphenoxy)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.