F6548-4177
TL;DR: F6548-4177 (CAS 689770-69-2) is a chemical compound with molecular formula C28H29N5O5S2 and molecular weight 579.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
Also Known As: F6548-4177, 4-{[6-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide, 4-((6-morpholino-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-(4-sulfamoylphenethyl)benzamide, 4-[(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
| Molecular Formula | C28H29N5O5S2 |
|---|---|
| Molecular Weight | 579.16 g/mol |
| LogP | 2.56389 |
| Topological Polar Surface Area | 139.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 579.161 |
| Heavy Atoms | 40 |
| Complexity | 1758.6091 |
Chemical Identifiers
| CAS Number | 689770-69-2 |
|---|---|
| SMILES | C1COCCN1C2=CC3=C(C=C2)NC(=S)N(C3=O)CC4=CC=C(C=C4)C(=O)NCCC5=CC=C(C=C5)S(=O)(=O)N |
Product Overview
F6548-4177 (CAS 689770-69-2), with molecular formula C28H29N5O5S2 and molecular weight 579.16 g/mol. IUPAC: 4-[(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
Chemical Property Profile of F6548-4177
Property Insights of F6548-4177
The XLogP value of 2.56389 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F6548-4177. The TPSA of 139.52 Ų falls within the moderate polarity range, balancing permeability and solubility for F6548-4177. Following Lipinski's Rule of Five, F6548-4177 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F6548-4177?
The CAS number of F6548-4177 is 689770-69-2.
What is the molecular formula of F6548-4177?
The molecular formula of F6548-4177 is C28H29N5O5S2.
What is the molecular weight of F6548-4177?
The molecular weight of F6548-4177 is 579.16 g/mol.
Where can I buy F6548-4177?
You can request a quote for F6548-4177 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F6548-4177?
Yes, KEHONG BIO provides custom synthesis services for F6548-4177 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.