![N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-2-fluorobenzamide structure](/static/products/902/902318-60-9.png)
N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-2-fluorobenzamide
TL;DR: N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-2-fluorobenzamide (CAS 902318-60-9) is a chemical compound with molecular formula C23H14FNO4S and molecular weight 419.06 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]-2-fluorobenzamide
Also Known As: N-(3-benzo[1,3]dioxol-5-yl-4-oxo-thiochromen-2-yl)-2-fluoro-benzamide, N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-2-fluorobenzamide, N-[3-(1,3-benzodioxol-5-yl)-4-oxothiochromen-2-yl]-2-fluorobenzamide, N-(3-(benzo[d][1,3]dioxol-5-yl)-4-oxo-4H-thiochromen-2-yl)-2-fluorobenzamide
| Molecular Formula | C23H14FNO4S |
|---|---|
| Molecular Weight | 419.06 g/mol |
| LogP | 5.0486 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.06274 |
| Heavy Atoms | 30 |
| Complexity | 1365.1659 |
Chemical Identifiers
| CAS Number | 902318-60-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=C(SC4=CC=CC=C4C3=O)NC(=O)C5=CC=CC=C5F |
Product Overview
N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-2-fluorobenzamide (CAS 902318-60-9), with molecular formula C23H14FNO4S and molecular weight 419.06 g/mol. IUPAC: N-[3-(1,3-benzodioxol-5-yl)-4-oxothiochromen-2-yl]-2-fluorobenzamide.
Chemical Property Profile of N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-2-fluorobenzamide
Property Insights of N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-2-fluorobenzamide
The XLogP value of 5.0486 indicates that N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-2-fluorobenzamide 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-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-2-fluorobenzamide. Following Lipinski's Rule of Five, N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-2-fluorobenzamide 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-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-2-fluorobenzamide?
The CAS number of N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-2-fluorobenzamide is 902318-60-9.
What is the molecular formula of N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-2-fluorobenzamide?
The molecular formula of N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-2-fluorobenzamide is C23H14FNO4S.
What is the molecular weight of N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-2-fluorobenzamide?
The molecular weight of N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-2-fluorobenzamide is 419.06 g/mol.
Where can I buy N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-2-fluorobenzamide?
You can request a quote for N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-2-fluorobenzamide 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]-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.