N-(1,3-benzodioxol-5-yl)-3-methylbenzamide
TL;DR: N-(1,3-benzodioxol-5-yl)-3-methylbenzamide (CAS 329221-32-1) is a chemical compound with molecular formula C15H13NO3 and molecular weight 255.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-3-methylbenzamide
Also Known As: N-(1,3-benzodioxol-5-yl)-3-methylbenzamide, BAS 03213737, BIM-0029465.P001, N-Benzo[1,3]dioxol-5-yl-3-methyl-benzamide, N-(2H-1,3-BENZODIOXOL-5-YL)-3-METHYLBENZAMIDE
| Molecular Formula | C15H13NO3 |
|---|---|
| Molecular Weight | 255.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.08954 |
| Heavy Atoms | 19 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 329221-32-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NC2=CC3=C(C=C2)OCO3 |
| InChIKey | XHMNTWCAAAUOTK-UHFFFAOYSA-N |
Product Overview
N-(1,3-benzodioxol-5-yl)-3-methylbenzamide (CAS 329221-32-1), with molecular formula C15H13NO3 and molecular weight 255.09 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-3-methylbenzamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-3-methylbenzamide
Property Insights of N-(1,3-benzodioxol-5-yl)-3-methylbenzamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-yl)-3-methylbenzamide. With a topological polar surface area (TPSA) of 47.6 Ų, N-(1,3-benzodioxol-5-yl)-3-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-3-methylbenzamide 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-yl)-3-methylbenzamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-3-methylbenzamide is 329221-32-1.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-3-methylbenzamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-3-methylbenzamide is C15H13NO3.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-3-methylbenzamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-3-methylbenzamide is 255.09 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-3-methylbenzamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-3-methylbenzamide 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-yl)-3-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-3-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.