1-(Butylthio)-N-(4-fluorophenyl)-9,10-dihydro-9,10-dioxo-2-anthracenecarboxamide
TL;DR: 1-(Butylthio)-N-(4-fluorophenyl)-9,10-dihydro-9,10-dioxo-2-anthracenecarboxamide (CAS 696648-52-9) is a chemical compound with molecular formula C25H20FNO3S and molecular weight 433.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butylsulfanyl-N-(4-fluorophenyl)-9,10-dioxoanthracene-2-carboxamide
Also Known As: A3500/0148372, 1-(butylsulfanyl)-N-(4-fluorophenyl)-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide, 1-(Butylthio)-N-(4-fluorophenyl)-9,10-dihydro-9,10-dioxo-2-anthracenecarboxamide, 1-butylsulfanyl-N-(4-fluorophenyl)-9,10-dioxoanthracene-2-carboxamide, 1-(butylthio)-N-(4-fluorophenyl)-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
| Molecular Formula | C25H20FNO3S |
|---|---|
| Molecular Weight | 433.11 g/mol |
| LogP | 5.7456 |
| Topological Polar Surface Area | 63.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.1148 |
| Heavy Atoms | 31 |
| Complexity | 1187.8716 |
Chemical Identifiers
| CAS Number | 696648-52-9 |
|---|---|
| SMILES | CCCCSC1=C(C=CC2=C1C(=O)C3=CC=CC=C3C2=O)C(=O)NC4=CC=C(C=C4)F |
Product Overview
1-(Butylthio)-N-(4-fluorophenyl)-9,10-dihydro-9,10-dioxo-2-anthracenecarboxamide (CAS 696648-52-9), with molecular formula C25H20FNO3S and molecular weight 433.11 g/mol. IUPAC: 1-butylsulfanyl-N-(4-fluorophenyl)-9,10-dioxoanthracene-2-carboxamide.
Chemical Property Profile of 1-(Butylthio)-N-(4-fluorophenyl)-9,10-dihydro-9,10-dioxo-2-anthracenecarboxamide
Property Insights of 1-(Butylthio)-N-(4-fluorophenyl)-9,10-dihydro-9,10-dioxo-2-anthracenecarboxamide
The XLogP value of 5.7456 indicates that 1-(Butylthio)-N-(4-fluorophenyl)-9,10-dihydro-9,10-dioxo-2-anthracenecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Butylthio)-N-(4-fluorophenyl)-9,10-dihydro-9,10-dioxo-2-anthracenecarboxamide. Following Lipinski's Rule of Five, 1-(Butylthio)-N-(4-fluorophenyl)-9,10-dihydro-9,10-dioxo-2-anthracenecarboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(Butylthio)-N-(4-fluorophenyl)-9,10-dihydro-9,10-dioxo-2-anthracenecarboxamide?
The CAS number of 1-(Butylthio)-N-(4-fluorophenyl)-9,10-dihydro-9,10-dioxo-2-anthracenecarboxamide is 696648-52-9.
What is the molecular formula of 1-(Butylthio)-N-(4-fluorophenyl)-9,10-dihydro-9,10-dioxo-2-anthracenecarboxamide?
The molecular formula of 1-(Butylthio)-N-(4-fluorophenyl)-9,10-dihydro-9,10-dioxo-2-anthracenecarboxamide is C25H20FNO3S.
What is the molecular weight of 1-(Butylthio)-N-(4-fluorophenyl)-9,10-dihydro-9,10-dioxo-2-anthracenecarboxamide?
The molecular weight of 1-(Butylthio)-N-(4-fluorophenyl)-9,10-dihydro-9,10-dioxo-2-anthracenecarboxamide is 433.11 g/mol.
Where can I buy 1-(Butylthio)-N-(4-fluorophenyl)-9,10-dihydro-9,10-dioxo-2-anthracenecarboxamide?
You can request a quote for 1-(Butylthio)-N-(4-fluorophenyl)-9,10-dihydro-9,10-dioxo-2-anthracenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Butylthio)-N-(4-fluorophenyl)-9,10-dihydro-9,10-dioxo-2-anthracenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(Butylthio)-N-(4-fluorophenyl)-9,10-dihydro-9,10-dioxo-2-anthracenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.