F6548-4171
TL;DR: F6548-4171 (CAS 689770-51-2) is a chemical compound with molecular formula C28H26N4O5S and molecular weight 530.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-4-[(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide
Also Known As: F6548-4171, N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}benzamide, N-(1,3-benzodioxol-5-ylmethyl)-4-[(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-4-((6-morpholino-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)benzamide, N-[(2H-1,3-Benzodioxol-5-yl)methyl]-4-{[6-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
| Molecular Formula | C28H26N4O5S |
|---|---|
| Molecular Weight | 530.16 g/mol |
| LogP | 3.60269 |
| Topological Polar Surface Area | 97.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 530.1624 |
| Heavy Atoms | 38 |
| Complexity | 1623.6095 |
Chemical Identifiers
| CAS Number | 689770-51-2 |
|---|---|
| SMILES | C1COCCN1C2=CC3=C(C=C2)NC(=S)N(C3=O)CC4=CC=C(C=C4)C(=O)NCC5=CC6=C(C=C5)OCO6 |
Product Overview
F6548-4171 (CAS 689770-51-2), with molecular formula C28H26N4O5S and molecular weight 530.16 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-4-[(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide.
Chemical Property Profile of F6548-4171
Property Insights of F6548-4171
The XLogP value of 3.60269 indicates that F6548-4171 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.82 Ų falls within the moderate polarity range, balancing permeability and solubility for F6548-4171. Following Lipinski's Rule of Five, F6548-4171 has 2 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 F6548-4171?
The CAS number of F6548-4171 is 689770-51-2.
What is the molecular formula of F6548-4171?
The molecular formula of F6548-4171 is C28H26N4O5S.
What is the molecular weight of F6548-4171?
The molecular weight of F6548-4171 is 530.16 g/mol.
Where can I buy F6548-4171?
You can request a quote for F6548-4171 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F6548-4171?
Yes, KEHONG BIO provides custom synthesis services for F6548-4171 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.