F3168-2121
TL;DR: F3168-2121 (CAS 896706-01-7) is a chemical compound with molecular formula C28H23FN4O7S and molecular weight 578.13 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-fluoroanilino)-2-oxoethyl]sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide
Also Known As: F3168-2121, N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-({[(4-fluorophenyl)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-fluoroanilino)-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-fluorophenyl)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-fluorophenyl)amino)-2-oxoethyl)thio)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)propanamide
| Molecular Formula | C28H23FN4O7S |
|---|---|
| Molecular Weight | 578.13 g/mol |
| LogP | 3.4303 |
| Topological Polar Surface Area | 130.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 578.12714 |
| Heavy Atoms | 41 |
| Complexity | 1710.9922 |
Chemical Identifiers
| CAS Number | 896706-01-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)CCN3C(=O)C4=CC5=C(C=C4N=C3SCC(=O)NC6=CC=C(C=C6)F)OCO5 |
Product Overview
F3168-2121 (CAS 896706-01-7), with molecular formula C28H23FN4O7S and molecular weight 578.13 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-[6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide.
Chemical Property Profile of F3168-2121
Property Insights of F3168-2121
The XLogP value of 3.4303 indicates that F3168-2121 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.01 Ų falls within the moderate polarity range, balancing permeability and solubility for F3168-2121. Following Lipinski's Rule of Five, F3168-2121 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 F3168-2121?
The CAS number of F3168-2121 is 896706-01-7.
What is the molecular formula of F3168-2121?
The molecular formula of F3168-2121 is C28H23FN4O7S.
What is the molecular weight of F3168-2121?
The molecular weight of F3168-2121 is 578.13 g/mol.
Where can I buy F3168-2121?
You can request a quote for F3168-2121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3168-2121?
Yes, KEHONG BIO provides custom synthesis services for F3168-2121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.