N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chlorobenzenecarboxamide
TL;DR: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chlorobenzenecarboxamide (CAS 698985-86-3) is a chemical compound with molecular formula C16H12ClNO4 and molecular weight 317.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chlorobenzamide
Also Known As: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chlorobenzenecarboxamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chlorobenzamide, N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-3-chlorobenzamide, 3W-0341, AN-652/40127079
| Molecular Formula | C16H12ClNO4 |
|---|---|
| Molecular Weight | 317.05 g/mol |
| LogP | 3.5236 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.04547 |
| Heavy Atoms | 22 |
| Complexity | 772.73627 |
Chemical Identifiers
| CAS Number | 698985-86-3 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC(=CC=C3)Cl)OCO2 |
Product Overview
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chlorobenzenecarboxamide (CAS 698985-86-3), with molecular formula C16H12ClNO4 and molecular weight 317.05 g/mol. IUPAC: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chlorobenzamide.
Chemical Property Profile of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chlorobenzenecarboxamide
Property Insights of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chlorobenzenecarboxamide
The XLogP value of 3.5236 indicates that N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chlorobenzenecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chlorobenzenecarboxamide. Following Lipinski's Rule of Five, N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chlorobenzenecarboxamide has 1 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-(6-acetyl-1,3-benzodioxol-5-yl)-3-chlorobenzenecarboxamide?
The CAS number of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chlorobenzenecarboxamide is 698985-86-3.
What is the molecular formula of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chlorobenzenecarboxamide?
The molecular formula of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chlorobenzenecarboxamide is C16H12ClNO4.
What is the molecular weight of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chlorobenzenecarboxamide?
The molecular weight of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chlorobenzenecarboxamide is 317.05 g/mol.
Where can I buy N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chlorobenzenecarboxamide?
You can request a quote for N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chlorobenzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chlorobenzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chlorobenzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.