N-(1,3-benzodioxol-5-ylmethyl)-3-(isobutyrylamino)benzamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-3-(isobutyrylamino)benzamide (CAS 599190-63-3) is a chemical compound with molecular formula C19H20N2O4 and molecular weight 340.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropanoylamino)benzamide
Also Known As: BAS 05602441, N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropanoylamino)benzamide, N-Benzo[1,3]dioxol-5-ylmethyl-3-isobutyrylamino-benzamide, N-(1,3-benzodioxol-5-ylmethyl)-3-(isobutyrylamino)benzamide, N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methylpropanoyl)amino]benzamide
| Molecular Formula | C19H20N2O4 |
|---|---|
| Molecular Weight | 340.14 g/mol |
| LogP | 2.9398 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.1423 |
| Heavy Atoms | 25 |
| Complexity | 801.76117 |
Chemical Identifiers
| CAS Number | 599190-63-3 |
|---|---|
| SMILES | CC(C)C(=O)NC1=CC=CC(=C1)C(=O)NCC2=CC3=C(C=C2)OCO3 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-3-(isobutyrylamino)benzamide (CAS 599190-63-3), with molecular formula C19H20N2O4 and molecular weight 340.14 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropanoylamino)benzamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-3-(isobutyrylamino)benzamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-3-(isobutyrylamino)benzamide
The XLogP value of 2.9398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-3-(isobutyrylamino)benzamide. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-3-(isobutyrylamino)benzamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-3-(isobutyrylamino)benzamide has 2 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)-3-(isobutyrylamino)benzamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-3-(isobutyrylamino)benzamide is 599190-63-3.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-(isobutyrylamino)benzamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-(isobutyrylamino)benzamide is C19H20N2O4.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-(isobutyrylamino)benzamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-(isobutyrylamino)benzamide is 340.14 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-3-(isobutyrylamino)benzamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-3-(isobutyrylamino)benzamide 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)-3-(isobutyrylamino)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-3-(isobutyrylamino)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.