2-Chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-nitrobenzamide
TL;DR: 2-Chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-nitrobenzamide (CAS 445464-50-6) is a chemical compound with molecular formula C14H7ClF2N2O5 and molecular weight 356.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-nitrobenzamide
Also Known As: 2-Chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-nitrobenzamide, 2-Chloro-N-(2,2-difluoro-benzo[1,3]dioxol-5-yl)-5-nitro-benzamide, A2736/0116214, 2-Chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-nitrobenzamide #, 2-CHLORO-N-(2,2-DIFLUORO-2H-1,3-BENZODIOXOL-5-YL)-5-NITROBENZAMIDE
| Molecular Formula | C14H7ClF2N2O5 |
|---|---|
| Molecular Weight | 356.00 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.00116 |
| Heavy Atoms | 24 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 445464-50-6 |
|---|---|
| SMILES | C1=CC2=C(C=C1NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)OC(O2)(F)F |
| InChIKey | ZZDYSIRHSFAQQR-UHFFFAOYSA-N |
Product Overview
2-Chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-nitrobenzamide (CAS 445464-50-6), with molecular formula C14H7ClF2N2O5 and molecular weight 356.00 g/mol. IUPAC: 2-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-nitrobenzamide.
Chemical Property Profile of 2-Chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-nitrobenzamide
Property Insights of 2-Chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-nitrobenzamide
The XLogP value of 3.8 indicates that 2-Chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-nitrobenzamide. Following Lipinski's Rule of Five, 2-Chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-nitrobenzamide has 1 hydrogen bond donor(s) and 7 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 2-Chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-nitrobenzamide?
The CAS number of 2-Chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-nitrobenzamide is 445464-50-6.
What is the molecular formula of 2-Chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-nitrobenzamide?
The molecular formula of 2-Chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-nitrobenzamide is C14H7ClF2N2O5.
What is the molecular weight of 2-Chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-nitrobenzamide?
The molecular weight of 2-Chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-nitrobenzamide is 356.00 g/mol.
Where can I buy 2-Chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-nitrobenzamide?
You can request a quote for 2-Chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.