F3168-2112
TL;DR: F3168-2112 (CAS 896705-86-5) is a chemical compound with molecular formula C29H26N4O7S and molecular weight 574.15 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-(benzylamino)-2-oxoethyl]sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide
Also Known As: F3168-2112, N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-{[(benzylcarbamoyl)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-(benzylamino)-2-oxoethyl]sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide, N-(1,3-benzodioxol-5-ylmethyl)-3-[6-{[2-(benzylamino)-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-(benzylamino)-2-oxoethyl)thio)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)propanamide
| Molecular Formula | C29H26N4O7S |
|---|---|
| Molecular Weight | 574.15 g/mol |
| LogP | 2.9689 |
| Topological Polar Surface Area | 130.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 574.1522 |
| Heavy Atoms | 41 |
| Complexity | 1675.832 |
Chemical Identifiers
| CAS Number | 896705-86-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)CCN3C(=O)C4=CC5=C(C=C4N=C3SCC(=O)NCC6=CC=CC=C6)OCO5 |
Product Overview
F3168-2112 (CAS 896705-86-5), with molecular formula C29H26N4O7S and molecular weight 574.15 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-[6-[2-(benzylamino)-2-oxoethyl]sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide.
Chemical Property Profile of F3168-2112
Property Insights of F3168-2112
The XLogP value of 2.9689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F3168-2112. The TPSA of 130.01 Ų falls within the moderate polarity range, balancing permeability and solubility for F3168-2112. Following Lipinski's Rule of Five, F3168-2112 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 F3168-2112?
The CAS number of F3168-2112 is 896705-86-5.
What is the molecular formula of F3168-2112?
The molecular formula of F3168-2112 is C29H26N4O7S.
What is the molecular weight of F3168-2112?
The molecular weight of F3168-2112 is 574.15 g/mol.
Where can I buy F3168-2112?
You can request a quote for F3168-2112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3168-2112?
Yes, KEHONG BIO provides custom synthesis services for F3168-2112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.