N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-2-fluorobenzamide
TL;DR: N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-2-fluorobenzamide (CAS 883966-07-2) is a chemical compound with molecular formula C24H18FNO4S and molecular weight 435.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(3,4-dimethoxyphenyl)-4-oxothiochromen-2-yl]-2-fluorobenzamide
Also Known As: N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-2-fluorobenzamide, N-[3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl]-2-fluorobenzamide, N-[3-(3,4-dimethoxyphenyl)-4-oxo-thiochromen-2-yl]-2-fluoro-benzamide, N-[3-(3,4-dimethoxyphenyl)-4-oxothiochromen-2-yl]-2-fluorobenzamide
| Molecular Formula | C24H18FNO4S |
|---|---|
| Molecular Weight | 435.09 g/mol |
| LogP | 5.3371 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.09406 |
| Heavy Atoms | 31 |
| Complexity | 1349.2385 |
Chemical Identifiers
| CAS Number | 883966-07-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=C(SC3=CC=CC=C3C2=O)NC(=O)C4=CC=CC=C4F)OC |
Product Overview
N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-2-fluorobenzamide (CAS 883966-07-2), with molecular formula C24H18FNO4S and molecular weight 435.09 g/mol. IUPAC: N-[3-(3,4-dimethoxyphenyl)-4-oxothiochromen-2-yl]-2-fluorobenzamide.
Chemical Property Profile of N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-2-fluorobenzamide
Property Insights of N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-2-fluorobenzamide
The XLogP value of 5.3371 indicates that N-(3-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-2-fluorobenzamide. Following Lipinski's Rule of Five, N-(3-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-2-fluorobenzamide?
The CAS number of N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-2-fluorobenzamide is 883966-07-2.
What is the molecular formula of N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-2-fluorobenzamide?
The molecular formula of N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-2-fluorobenzamide is C24H18FNO4S.
What is the molecular weight of N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-2-fluorobenzamide?
The molecular weight of N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-2-fluorobenzamide is 435.09 g/mol.
Where can I buy N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-2-fluorobenzamide?
You can request a quote for N-(3-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.