F3168-2107
TL;DR: F3168-2107 (CAS 896705-68-3) is a chemical compound with molecular formula C26H24N6O7S and molecular weight 564.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-3-[6-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide
Also Known As: F3168-2107, N-(1,3-benzodioxol-5-ylmethyl)-3-[6-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide, N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-({[(3-methyl-1H-pyrazol-5-yl)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-[(5-methyl-1H-pyrazol-3-yl)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-((3-methyl-1H-pyrazol-5-yl)amino)-2-oxoethyl)thio)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)propanamide
| Molecular Formula | C26H24N6O7S |
|---|---|
| Molecular Weight | 564.14 g/mol |
| LogP | 2.32272 |
| Topological Polar Surface Area | 158.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 564.1427 |
| Heavy Atoms | 40 |
| Complexity | 1684.3131 |
Chemical Identifiers
| CAS Number | 896705-68-3 |
|---|---|
| SMILES | CC1=CC(=NN1)NC(=O)CSC2=NC3=CC4=C(C=C3C(=O)N2CCC(=O)NCC5=CC6=C(C=C5)OCO6)OCO4 |
Product Overview
F3168-2107 (CAS 896705-68-3), with molecular formula C26H24N6O7S and molecular weight 564.14 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-[6-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide.
Chemical Property Profile of F3168-2107
Property Insights of F3168-2107
The XLogP value of 2.32272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F3168-2107. The TPSA of 158.69 Ų indicates high polarity, suggesting F3168-2107 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F3168-2107 has 3 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 F3168-2107?
The CAS number of F3168-2107 is 896705-68-3.
What is the molecular formula of F3168-2107?
The molecular formula of F3168-2107 is C26H24N6O7S.
What is the molecular weight of F3168-2107?
The molecular weight of F3168-2107 is 564.14 g/mol.
Where can I buy F3168-2107?
You can request a quote for F3168-2107 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3168-2107?
Yes, KEHONG BIO provides custom synthesis services for F3168-2107 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.