F0844-0001
TL;DR: F0844-0001 (CAS 326880-24-4) is a chemical compound with molecular formula C28H24N4O4S and molecular weight 512.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[5-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate
Also Known As: F0844-0001, methyl 4-({[5-(2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-3-yl}ethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate, methyl 4-(((4-allyl-5-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzoate, methyl 4-[[5-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate, methyl 4-[({5-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
| Molecular Formula | C28H24N4O4S |
|---|---|
| Molecular Weight | 512.15 g/mol |
| LogP | 4.5349 |
| Topological Polar Surface Area | 94.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 512.15186 |
| Heavy Atoms | 37 |
| Complexity | 1476.4794 |
Chemical Identifiers
| CAS Number | 326880-24-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CC=C)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
F0844-0001 (CAS 326880-24-4), with molecular formula C28H24N4O4S and molecular weight 512.15 g/mol. IUPAC: methyl 4-[[5-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate.
Chemical Property Profile of F0844-0001
Property Insights of F0844-0001
The XLogP value of 4.5349 indicates that F0844-0001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.39 Ų falls within the moderate polarity range, balancing permeability and solubility for F0844-0001. Following Lipinski's Rule of Five, F0844-0001 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0844-0001?
The CAS number of F0844-0001 is 326880-24-4.
What is the molecular formula of F0844-0001?
The molecular formula of F0844-0001 is C28H24N4O4S.
What is the molecular weight of F0844-0001?
The molecular weight of F0844-0001 is 512.15 g/mol.
Where can I buy F0844-0001?
You can request a quote for F0844-0001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0844-0001?
Yes, KEHONG BIO provides custom synthesis services for F0844-0001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.