N-(1,3-benzodioxol-5-ylmethyl)-4-phenoxybenzamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-4-phenoxybenzamide (CAS 423730-74-9) is a chemical compound with molecular formula C21H17NO4 and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-4-phenoxybenzamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-4-phenoxybenzamide, A2661/0113441, N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-phenoxybenzamide, N-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)(4-phenoxyphenyl)carboxamide
| Molecular Formula | C21H17NO4 |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.11575 |
| Heavy Atoms | 26 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 423730-74-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4 |
| InChIKey | RABKJTLEBBLLFD-UHFFFAOYSA-N |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-4-phenoxybenzamide (CAS 423730-74-9), with molecular formula C21H17NO4 and molecular weight 347.12 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-4-phenoxybenzamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-4-phenoxybenzamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-4-phenoxybenzamide
The XLogP value of 4.2 indicates that N-(1,3-benzodioxol-5-ylmethyl)-4-phenoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.8 Ų, N-(1,3-benzodioxol-5-ylmethyl)-4-phenoxybenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-4-phenoxybenzamide 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)-4-phenoxybenzamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-4-phenoxybenzamide is 423730-74-9.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-phenoxybenzamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-phenoxybenzamide is C21H17NO4.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-phenoxybenzamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-phenoxybenzamide is 347.12 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-4-phenoxybenzamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-4-phenoxybenzamide 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)-4-phenoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-4-phenoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.