N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-chloro-4-methylphenyl)ethanediamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-chloro-4-methylphenyl)ethanediamide (CAS 428823-80-7) is a chemical compound with molecular formula C17H15ClN2O4 and molecular weight 346.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-chloro-4-methylphenyl)oxamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-chloro-4-methylphenyl)ethanediamide, F2795-0987, N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-chloro-4-methylphenyl)oxamide, N1-(benzo[d][1,3]dioxol-5-ylmethyl)-N2-(3-chloro-4-methylphenyl)oxalamide, N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(3-chloro-4-methylphenyl)ethanediamide
| Molecular Formula | C17H15ClN2O4 |
|---|---|
| Molecular Weight | 346.07 g/mol |
| LogP | 2.63202 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.07202 |
| Heavy Atoms | 24 |
| Complexity | 807.1727 |
Chemical Identifiers
| CAS Number | 428823-80-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)C(=O)NCC2=CC3=C(C=C2)OCO3)Cl |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-chloro-4-methylphenyl)ethanediamide (CAS 428823-80-7), with molecular formula C17H15ClN2O4 and molecular weight 346.07 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-chloro-4-methylphenyl)oxamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-chloro-4-methylphenyl)ethanediamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-chloro-4-methylphenyl)ethanediamide
The XLogP value of 2.63202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-chloro-4-methylphenyl)ethanediamide. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-chloro-4-methylphenyl)ethanediamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-chloro-4-methylphenyl)ethanediamide 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)-N'-(3-chloro-4-methylphenyl)ethanediamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-chloro-4-methylphenyl)ethanediamide is 428823-80-7.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-chloro-4-methylphenyl)ethanediamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-chloro-4-methylphenyl)ethanediamide is C17H15ClN2O4.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-chloro-4-methylphenyl)ethanediamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-chloro-4-methylphenyl)ethanediamide is 346.07 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-chloro-4-methylphenyl)ethanediamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-chloro-4-methylphenyl)ethanediamide 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)-N'-(3-chloro-4-methylphenyl)ethanediamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-chloro-4-methylphenyl)ethanediamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.