F3168-2105
TL;DR: F3168-2105 (CAS 688059-50-9) is a chemical compound with molecular formula C29H23N5O7S and molecular weight 585.13 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-[8-oxo-6-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide
Also Known As: F3168-2105, N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{8-oxo-6-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}propanamide, N-(1,3-benzodioxol-5-ylmethyl)-3-[8-oxo-6-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide, N-(1,3-benzodioxol-5-ylmethyl)-3-[8-oxo-6-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]thio}[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-(8-oxo-6-(((4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl)thio)-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)propanamide
| Molecular Formula | C29H23N5O7S |
|---|---|
| Molecular Weight | 585.13 g/mol |
| LogP | 2.8606 |
| Topological Polar Surface Area | 135.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 585.13184 |
| Heavy Atoms | 42 |
| Complexity | 1990.3579 |
Chemical Identifiers
| CAS Number | 688059-50-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)CCN3C(=O)C4=CC5=C(C=C4N=C3SCC6=CC(=O)N7C=CC=CC7=N6)OCO5 |
Product Overview
F3168-2105 (CAS 688059-50-9), with molecular formula C29H23N5O7S and molecular weight 585.13 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-[8-oxo-6-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide.
Chemical Property Profile of F3168-2105
Property Insights of F3168-2105
The XLogP value of 2.8606 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F3168-2105. The TPSA of 135.28 Ų falls within the moderate polarity range, balancing permeability and solubility for F3168-2105. Following Lipinski's Rule of Five, F3168-2105 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 F3168-2105?
The CAS number of F3168-2105 is 688059-50-9.
What is the molecular formula of F3168-2105?
The molecular formula of F3168-2105 is C29H23N5O7S.
What is the molecular weight of F3168-2105?
The molecular weight of F3168-2105 is 585.13 g/mol.
Where can I buy F3168-2105?
You can request a quote for F3168-2105 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3168-2105?
Yes, KEHONG BIO provides custom synthesis services for F3168-2105 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.