![N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide structure](/static/products/879/879448-24-5.png)
N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide
TL;DR: N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide (CAS 879448-24-5) is a chemical compound with molecular formula C23H14N2O6S and molecular weight 446.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(1,3-benzodioxol-5-yl)-4-oxothiochromen-2-yl]-4-nitrobenzamide
Also Known As: SDCCGSBI-0661233.P001, N-(3-benzo[1,3]dioxol-5-yl-4-oxo-thiochromen-2-yl)-4-nitro-benzamide, N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide, N-[3-(1,3-benzodioxol-5-yl)-4-oxothiochromen-2-yl]-4-nitrobenzamide, N-(3-(benzo[d][1,3]dioxol-5-yl)-4-oxo-4H-thiochromen-2-yl)-4-nitrobenzamide
| Molecular Formula | C23H14N2O6S |
|---|---|
| Molecular Weight | 446.06 g/mol |
| LogP | 4.8177 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.05725 |
| Heavy Atoms | 32 |
| Complexity | 1445.5883 |
Chemical Identifiers
| CAS Number | 879448-24-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=C(SC4=CC=CC=C4C3=O)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide (CAS 879448-24-5), with molecular formula C23H14N2O6S and molecular weight 446.06 g/mol. IUPAC: N-[3-(1,3-benzodioxol-5-yl)-4-oxothiochromen-2-yl]-4-nitrobenzamide.
Chemical Property Profile of N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide
Property Insights of N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide
The XLogP value of 4.8177 indicates that N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide. Following Lipinski's Rule of Five, N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-4-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 N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide?
The CAS number of N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide is 879448-24-5.
What is the molecular formula of N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide?
The molecular formula of N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide is C23H14N2O6S.
What is the molecular weight of N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide?
The molecular weight of N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide is 446.06 g/mol.
Where can I buy N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide?
You can request a quote for N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-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-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.