F6548-4051
TL;DR: F6548-4051 (CAS 958716-68-2) is a chemical compound with molecular formula C27H21N5O6S and molecular weight 543.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[(3-nitrophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
Also Known As: F6548-4051, N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[(3-nitrophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide, N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(5-{[(3-nitrophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-{5-[(3-nitrobenzyl)thio]-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-2-yl}acetamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(5-((3-nitrobenzyl)thio)-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide
| Molecular Formula | C27H21N5O6S |
|---|---|
| Molecular Weight | 543.12 g/mol |
| LogP | 3.9219 |
| Topological Polar Surface Area | 135.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 543.1213 |
| Heavy Atoms | 39 |
| Complexity | 1571.7173 |
Chemical Identifiers
| CAS Number | 958716-68-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)CC3C(=O)N4C(=N3)C5=CC=CC=C5N=C4SCC6=CC(=CC=C6)[N+](=O)[O-] |
Product Overview
F6548-4051 (CAS 958716-68-2), with molecular formula C27H21N5O6S and molecular weight 543.12 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[(3-nitrophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide.
Chemical Property Profile of F6548-4051
Property Insights of F6548-4051
The XLogP value of 3.9219 indicates that F6548-4051 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.73 Ų falls within the moderate polarity range, balancing permeability and solubility for F6548-4051. Following Lipinski's Rule of Five, F6548-4051 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F6548-4051?
The CAS number of F6548-4051 is 958716-68-2.
What is the molecular formula of F6548-4051?
The molecular formula of F6548-4051 is C27H21N5O6S.
What is the molecular weight of F6548-4051?
The molecular weight of F6548-4051 is 543.12 g/mol.
Where can I buy F6548-4051?
You can request a quote for F6548-4051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F6548-4051?
Yes, KEHONG BIO provides custom synthesis services for F6548-4051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.