F6548-4107
TL;DR: F6548-4107 (CAS 896705-55-8) is a chemical compound with molecular formula C27H22ClN3O6S and molecular weight 551.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-3-[6-[(2-chlorophenyl)methylsulfanyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide
Also Known As: F6548-4107, N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-{[(2-chlorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propanamide, N-(1,3-benzodioxol-5-ylmethyl)-3-[6-[(2-chlorophenyl)methylsulfanyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide, N-(1,3-benzodioxol-5-ylmethyl)-3-[6-[(2-chlorobenzyl)thio]-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-(6-((2-chlorobenzyl)thio)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)propanamide
| Molecular Formula | C27H22ClN3O6S |
|---|---|
| Molecular Weight | 551.09 g/mol |
| LogP | 4.5061 |
| Topological Polar Surface Area | 100.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 551.0918 |
| Heavy Atoms | 38 |
| Complexity | 1608.2861 |
Chemical Identifiers
| CAS Number | 896705-55-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)CCN3C(=O)C4=CC5=C(C=C4N=C3SCC6=CC=CC=C6Cl)OCO5 |
Product Overview
F6548-4107 (CAS 896705-55-8), with molecular formula C27H22ClN3O6S and molecular weight 551.09 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-[6-[(2-chlorophenyl)methylsulfanyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide.
Chemical Property Profile of F6548-4107
Property Insights of F6548-4107
The XLogP value of 4.5061 indicates that F6548-4107 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.91 Ų falls within the moderate polarity range, balancing permeability and solubility for F6548-4107. Following Lipinski's Rule of Five, F6548-4107 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F6548-4107?
The CAS number of F6548-4107 is 896705-55-8.
What is the molecular formula of F6548-4107?
The molecular formula of F6548-4107 is C27H22ClN3O6S.
What is the molecular weight of F6548-4107?
The molecular weight of F6548-4107 is 551.09 g/mol.
Where can I buy F6548-4107?
You can request a quote for F6548-4107 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F6548-4107?
Yes, KEHONG BIO provides custom synthesis services for F6548-4107 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.