N-(7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydro-2H-chromen-3-yl)-4-fluorobenzamide
TL;DR: N-(7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydro-2H-chromen-3-yl)-4-fluorobenzamide (CAS 831252-15-4) is a chemical compound with molecular formula C18H16FNO4 and molecular weight 329.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl)-4-fluorobenzamide
Also Known As: N-(7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydro-2H-chromen-3-yl)-4-fluorobenzamide, N-(7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl)-4-fluorobenzamide
| Molecular Formula | C18H16FNO4 |
|---|---|
| Molecular Weight | 329.11 g/mol |
| LogP | 3.1863 |
| Topological Polar Surface Area | 76.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.10632 |
| Heavy Atoms | 24 |
| Complexity | 880.882 |
Chemical Identifiers
| CAS Number | 831252-15-4 |
|---|---|
| SMILES | CC1(CC2=C(C=C(C(=O)O2)NC(=O)C3=CC=C(C=C3)F)C(=O)C1)C |
Product Overview
N-(7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydro-2H-chromen-3-yl)-4-fluorobenzamide (CAS 831252-15-4), with molecular formula C18H16FNO4 and molecular weight 329.11 g/mol. IUPAC: N-(7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl)-4-fluorobenzamide.
Chemical Property Profile of N-(7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydro-2H-chromen-3-yl)-4-fluorobenzamide
Property Insights of N-(7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydro-2H-chromen-3-yl)-4-fluorobenzamide
The XLogP value of 3.1863 indicates that N-(7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydro-2H-chromen-3-yl)-4-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.38 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydro-2H-chromen-3-yl)-4-fluorobenzamide. Following Lipinski's Rule of Five, N-(7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydro-2H-chromen-3-yl)-4-fluorobenzamide has 1 hydrogen bond donor(s) and 4 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-(7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydro-2H-chromen-3-yl)-4-fluorobenzamide?
The CAS number of N-(7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydro-2H-chromen-3-yl)-4-fluorobenzamide is 831252-15-4.
What is the molecular formula of N-(7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydro-2H-chromen-3-yl)-4-fluorobenzamide?
The molecular formula of N-(7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydro-2H-chromen-3-yl)-4-fluorobenzamide is C18H16FNO4.
What is the molecular weight of N-(7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydro-2H-chromen-3-yl)-4-fluorobenzamide?
The molecular weight of N-(7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydro-2H-chromen-3-yl)-4-fluorobenzamide is 329.11 g/mol.
Where can I buy N-(7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydro-2H-chromen-3-yl)-4-fluorobenzamide?
You can request a quote for N-(7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydro-2H-chromen-3-yl)-4-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydro-2H-chromen-3-yl)-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydro-2H-chromen-3-yl)-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.