N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-chlorophenyl)oxamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-chlorophenyl)oxamide (CAS 331428-33-2) is a chemical compound with molecular formula C16H13ClN2O4 and molecular weight 332.06 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'-(4-chlorophenyl)oxamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-chlorophenyl)oxamide, N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-chlorophenyl)ethanediamide, F2616-0078, N1-(benzo[d][1,3]dioxol-5-ylmethyl)-N2-(4-chlorophenyl)oxalamide, N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-chlorophenyl)ethanediamide
| Molecular Formula | C16H13ClN2O4 |
|---|---|
| Molecular Weight | 332.06 g/mol |
| LogP | 2.3236 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.0564 |
| Heavy Atoms | 23 |
| Complexity | 746.2455 |
Chemical Identifiers
| CAS Number | 331428-33-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)C(=O)NC3=CC=C(C=C3)Cl |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-chlorophenyl)oxamide (CAS 331428-33-2), with molecular formula C16H13ClN2O4 and molecular weight 332.06 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-chlorophenyl)oxamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-chlorophenyl)oxamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-chlorophenyl)oxamide
The XLogP value of 2.3236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-chlorophenyl)oxamide. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-chlorophenyl)oxamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-chlorophenyl)oxamide 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'-(4-chlorophenyl)oxamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-chlorophenyl)oxamide is 331428-33-2.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-chlorophenyl)oxamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-chlorophenyl)oxamide is C16H13ClN2O4.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-chlorophenyl)oxamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-chlorophenyl)oxamide is 332.06 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-chlorophenyl)oxamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-chlorophenyl)oxamide 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'-(4-chlorophenyl)oxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-chlorophenyl)oxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.