F6548-4645
TL;DR: F6548-4645 (CAS 896697-91-9) is a chemical compound with molecular formula C26H22N4O5S and molecular weight 502.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanylbutanamide
Also Known As: F6548-4645, N-(2H-1,3-benzodioxol-5-yl)-2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)butanamide, N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanylbutanamide, N-1,3-benzodioxol-5-yl-2-{[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]thio}butanamide, N-(benzo[d][1,3]dioxol-5-yl)-2-((4-(benzo[d][1,3]dioxol-5-ylamino)quinazolin-2-yl)thio)butanamide
| Molecular Formula | C26H22N4O5S |
|---|---|
| Molecular Weight | 502.13 g/mol |
| LogP | 5.3402 |
| Topological Polar Surface Area | 103.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 502.1311 |
| Heavy Atoms | 36 |
| Complexity | 1463.9766 |
Chemical Identifiers
| CAS Number | 896697-91-9 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=N3)NC5=CC6=C(C=C5)OCO6 |
Product Overview
F6548-4645 (CAS 896697-91-9), with molecular formula C26H22N4O5S and molecular weight 502.13 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanylbutanamide.
Chemical Property Profile of F6548-4645
Property Insights of F6548-4645
The XLogP value of 5.3402 indicates that F6548-4645 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.83 Ų falls within the moderate polarity range, balancing permeability and solubility for F6548-4645. Following Lipinski's Rule of Five, F6548-4645 has 2 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 F6548-4645?
The CAS number of F6548-4645 is 896697-91-9.
What is the molecular formula of F6548-4645?
The molecular formula of F6548-4645 is C26H22N4O5S.
What is the molecular weight of F6548-4645?
The molecular weight of F6548-4645 is 502.13 g/mol.
Where can I buy F6548-4645?
You can request a quote for F6548-4645 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F6548-4645?
Yes, KEHONG BIO provides custom synthesis services for F6548-4645 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.