6F-960
TL;DR: 6F-960 (CAS 338791-56-3) is a chemical compound with molecular formula C27H27FN2O5 and molecular weight 478.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[[4-benzoyl-1-[(4-fluorophenyl)methyl]-5-methylpyrrol-3-yl]amino]methylidene]propanedioate
Also Known As: 6F-960, diethyl 2-({[4-benzoyl-1-(4-fluorobenzyl)-5-methyl-1H-pyrrol-3-yl]amino}methylene)malonate, diethyl 2-[[[4-benzoyl-1-[(4-fluorophenyl)methyl]-5-methylpyrrol-3-yl]amino]methylidene]propanedioate, 1,3-diethyl 2-[({4-benzoyl-1-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrrol-3-yl}amino)methylidene]propanedioate, 1,3-diethyl 2-[({4-benzoyl-1-[(4-fluorophenyl)methyl]-5-methylpyrrol-3-yl}amino)methylidene]propanedioate
| Molecular Formula | C27H27FN2O5 |
|---|---|
| Molecular Weight | 478.19 g/mol |
| LogP | 4.63692 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 478.1904 |
| Heavy Atoms | 35 |
| Complexity | 1210.4625 |
Chemical Identifiers
| CAS Number | 338791-56-3 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CN(C(=C1C(=O)C2=CC=CC=C2)C)CC3=CC=C(C=C3)F)C(=O)OCC |
Product Overview
6F-960 (CAS 338791-56-3), with molecular formula C27H27FN2O5 and molecular weight 478.19 g/mol. IUPAC: diethyl 2-[[[4-benzoyl-1-[(4-fluorophenyl)methyl]-5-methylpyrrol-3-yl]amino]methylidene]propanedioate.
Chemical Property Profile of 6F-960
Property Insights of 6F-960
The XLogP value of 4.63692 indicates that 6F-960 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 6F-960. Following Lipinski's Rule of Five, 6F-960 has 1 hydrogen bond donor(s) and 6 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 6F-960?
The CAS number of 6F-960 is 338791-56-3.
What is the molecular formula of 6F-960?
The molecular formula of 6F-960 is C27H27FN2O5.
What is the molecular weight of 6F-960?
The molecular weight of 6F-960 is 478.19 g/mol.
Where can I buy 6F-960?
You can request a quote for 6F-960 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6F-960?
Yes, KEHONG BIO provides custom synthesis services for 6F-960 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.