F3168-2104
TL;DR: F3168-2104 (CAS 896705-65-0) is a chemical compound with molecular formula C27H22N4O8S and molecular weight 562.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-3-[6-[(4-nitrophenyl)methylsulfanyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide
Also Known As: F3168-2104, N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-{[(4-nitrophenyl)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-[(4-nitrophenyl)methylsulfanyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide, N-(1,3-benzodioxol-5-ylmethyl)-3-[6-[(4-nitrobenzyl)thio]-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-(6-((4-nitrobenzyl)thio)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)propanamide
| Molecular Formula | C27H22N4O8S |
|---|---|
| Molecular Weight | 562.12 g/mol |
| LogP | 3.7609 |
| Topological Polar Surface Area | 144.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 562.11584 |
| Heavy Atoms | 40 |
| Complexity | 1689.2539 |
Chemical Identifiers
| CAS Number | 896705-65-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)CCN3C(=O)C4=CC5=C(C=C4N=C3SCC6=CC=C(C=C6)[N+](=O)[O-])OCO5 |
Product Overview
F3168-2104 (CAS 896705-65-0), with molecular formula C27H22N4O8S and molecular weight 562.12 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-[6-[(4-nitrophenyl)methylsulfanyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide.
Chemical Property Profile of F3168-2104
Property Insights of F3168-2104
The XLogP value of 3.7609 indicates that F3168-2104 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.05 Ų indicates high polarity, suggesting F3168-2104 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F3168-2104 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F3168-2104?
The CAS number of F3168-2104 is 896705-65-0.
What is the molecular formula of F3168-2104?
The molecular formula of F3168-2104 is C27H22N4O8S.
What is the molecular weight of F3168-2104?
The molecular weight of F3168-2104 is 562.12 g/mol.
Where can I buy F3168-2104?
You can request a quote for F3168-2104 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3168-2104?
Yes, KEHONG BIO provides custom synthesis services for F3168-2104 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.