F3168-2117
TL;DR: F3168-2117 (CAS 896705-95-6) is a chemical compound with molecular formula C29H26N4O8S and molecular weight 590.15 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-(4-methoxyanilino)-2-oxoethyl]sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide
Also Known As: F3168-2117, N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-({[(4-methoxyphenyl)carbamoyl]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-(4-methoxyanilino)-2-oxoethyl]sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide, N-(1,3-benzodioxol-5-ylmethyl)-3-[6-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}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-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)propanamide
| Molecular Formula | C29H26N4O8S |
|---|---|
| Molecular Weight | 590.15 g/mol |
| LogP | 3.2998 |
| Topological Polar Surface Area | 139.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 590.14716 |
| Heavy Atoms | 42 |
| Complexity | 1724.0402 |
Chemical Identifiers
| CAS Number | 896705-95-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC4=C(C=C3C(=O)N2CCC(=O)NCC5=CC6=C(C=C5)OCO6)OCO4 |
Product Overview
F3168-2117 (CAS 896705-95-6), with molecular formula C29H26N4O8S and molecular weight 590.15 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-[6-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide.
Chemical Property Profile of F3168-2117
Property Insights of F3168-2117
The XLogP value of 3.2998 indicates that F3168-2117 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.24 Ų falls within the moderate polarity range, balancing permeability and solubility for F3168-2117. Following Lipinski's Rule of Five, F3168-2117 has 2 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 F3168-2117?
The CAS number of F3168-2117 is 896705-95-6.
What is the molecular formula of F3168-2117?
The molecular formula of F3168-2117 is C29H26N4O8S.
What is the molecular weight of F3168-2117?
The molecular weight of F3168-2117 is 590.15 g/mol.
Where can I buy F3168-2117?
You can request a quote for F3168-2117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3168-2117?
Yes, KEHONG BIO provides custom synthesis services for F3168-2117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.