F3168-2178
TL;DR: F3168-2178 (CAS 896706-66-4) is a chemical compound with molecular formula C29H25N3O7S and molecular weight 559.14 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-(8-oxo-6-phenacylsulfanyl-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanamide
Also Known As: F3168-2178, N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{8-oxo-6-[(2-oxo-2-phenylethyl)sulfanyl]-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}butanamide, N-(1,3-benzodioxol-5-ylmethyl)-4-(8-oxo-6-phenacylsulfanyl-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanamide, N-(1,3-benzodioxol-5-ylmethyl)-4-[8-oxo-6-[(2-oxo-2-phenylethyl)thio][1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(8-oxo-6-((2-oxo-2-phenylethyl)thio)-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)butanamide
| Molecular Formula | C29H25N3O7S |
|---|---|
| Molecular Weight | 559.14 g/mol |
| LogP | 3.9255 |
| Topological Polar Surface Area | 117.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 559.1413 |
| Heavy Atoms | 40 |
| Complexity | 1655.5095 |
Chemical Identifiers
| CAS Number | 896706-66-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCN3C(=O)C4=CC5=C(C=C4N=C3SCC(=O)C6=CC=CC=C6)OCO5 |
Product Overview
F3168-2178 (CAS 896706-66-4), with molecular formula C29H25N3O7S and molecular weight 559.14 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-4-(8-oxo-6-phenacylsulfanyl-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanamide.
Chemical Property Profile of F3168-2178
Property Insights of F3168-2178
The XLogP value of 3.9255 indicates that F3168-2178 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.98 Ų falls within the moderate polarity range, balancing permeability and solubility for F3168-2178. Following Lipinski's Rule of Five, F3168-2178 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 F3168-2178?
The CAS number of F3168-2178 is 896706-66-4.
What is the molecular formula of F3168-2178?
The molecular formula of F3168-2178 is C29H25N3O7S.
What is the molecular weight of F3168-2178?
The molecular weight of F3168-2178 is 559.14 g/mol.
Where can I buy F3168-2178?
You can request a quote for F3168-2178 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3168-2178?
Yes, KEHONG BIO provides custom synthesis services for F3168-2178 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.