![N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-4-nitrobenzamide structure](/static/products/827/827005-58-3.png)
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-4-nitrobenzamide
TL;DR: N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-4-nitrobenzamide (CAS 827005-58-3) is a chemical compound with molecular formula C22H13ClN2O5 and molecular weight 420.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-4-nitrobenzamide
Also Known As: N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-4-nitrobenzamide, N-[3-chloro-4-(2-oxo-2H-chromen-3-yl)phenyl]-4-nitrobenzamide, N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-4-nitro-benzamide
| Molecular Formula | C22H13ClN2O5 |
|---|---|
| Molecular Weight | 420.05 g/mol |
| LogP | 5.2739 |
| Topological Polar Surface Area | 102.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.0513 |
| Heavy Atoms | 30 |
| Complexity | 1345.9956 |
Chemical Identifiers
| CAS Number | 827005-58-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])Cl |
Product Overview
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-4-nitrobenzamide (CAS 827005-58-3), with molecular formula C22H13ClN2O5 and molecular weight 420.05 g/mol. IUPAC: N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-4-nitrobenzamide.
Chemical Property Profile of N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-4-nitrobenzamide
Property Insights of N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-4-nitrobenzamide
The XLogP value of 5.2739 indicates that N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-4-nitrobenzamide. Following Lipinski's Rule of Five, N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-4-nitrobenzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-4-nitrobenzamide?
The CAS number of N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-4-nitrobenzamide is 827005-58-3.
What is the molecular formula of N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-4-nitrobenzamide?
The molecular formula of N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-4-nitrobenzamide is C22H13ClN2O5.
What is the molecular weight of N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-4-nitrobenzamide?
The molecular weight of N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-4-nitrobenzamide is 420.05 g/mol.
Where can I buy N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-4-nitrobenzamide?
You can request a quote for N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.