N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethylbenzamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethylbenzamide (CAS 702650-85-9) is a chemical compound with molecular formula C17H17NO3 and molecular weight 283.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethylbenzamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethylbenzamide, BAS 08979639, N-Benzo[1,3]dioxol-5-ylmethyl-2,4-dimethyl-benzamide, N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dimethylbenzamide
| Molecular Formula | C17H17NO3 |
|---|---|
| Molecular Weight | 283.12 g/mol |
| LogP | 2.96214 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.12085 |
| Heavy Atoms | 21 |
| Complexity | 694.42975 |
Chemical Identifiers
| CAS Number | 702650-85-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethylbenzamide (CAS 702650-85-9), with molecular formula C17H17NO3 and molecular weight 283.12 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethylbenzamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethylbenzamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethylbenzamide
The XLogP value of 2.96214 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethylbenzamide. With a topological polar surface area (TPSA) of 47.56 Ų, N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethylbenzamide has 1 hydrogen bond donor(s) and 3 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-dimethylbenzamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethylbenzamide is 702650-85-9.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethylbenzamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethylbenzamide is C17H17NO3.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethylbenzamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethylbenzamide is 283.12 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethylbenzamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethylbenzamide 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-dimethylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.