A2978/0125527
TL;DR: A2978/0125527 (CAS 681855-70-9) is a chemical compound with molecular formula C27H20FNO4 and molecular weight 441.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-2-methyl-2-phenyl-1,3-dioxane-4,6-dione
Also Known As: A2978/0125527, 5-((1-(4-fluorobenzyl)-1H-indol-3-yl)methylene)-2-methyl-2-phenyl-1,3-dioxane-4,6-dione, 5-({1-[(4-FLUOROPHENYL)METHYL]-1H-INDOL-3-YL}METHYLIDENE)-2-METHYL-2-PHENYL-1,3-DIOXANE-4,6-DIONE, 5-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-2-methyl-2-phenyl-1,3-dioxane-4,6-dione, 5-{[1-(4-fluorobenzyl)-1H-indol-3-yl]methylidene}-2-methyl-2-phenyl-1,3-dioxane-4,6-dione
| Molecular Formula | C27H20FNO4 |
|---|---|
| Molecular Weight | 441.14 g/mol |
| LogP | 5.185 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.13763 |
| Heavy Atoms | 33 |
| Complexity | 1366.931 |
Chemical Identifiers
| CAS Number | 681855-70-9 |
|---|---|
| SMILES | CC1(OC(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)F)C(=O)O1)C5=CC=CC=C5 |
Product Overview
A2978/0125527 (CAS 681855-70-9), with molecular formula C27H20FNO4 and molecular weight 441.14 g/mol. IUPAC: 5-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-2-methyl-2-phenyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of A2978/0125527
Property Insights of A2978/0125527
The XLogP value of 5.185 indicates that A2978/0125527 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, A2978/0125527 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2978/0125527 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2978/0125527?
The CAS number of A2978/0125527 is 681855-70-9.
What is the molecular formula of A2978/0125527?
The molecular formula of A2978/0125527 is C27H20FNO4.
What is the molecular weight of A2978/0125527?
The molecular weight of A2978/0125527 is 441.14 g/mol.
Where can I buy A2978/0125527?
You can request a quote for A2978/0125527 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2978/0125527?
Yes, KEHONG BIO provides custom synthesis services for A2978/0125527 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.