A2978/0125542
TL;DR: A2978/0125542 (CAS 681855-75-4) is a chemical compound with molecular formula C20H19ClO5S and molecular weight 406.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-methyl-1,3-dioxane-4,6-dione
Also Known As: A2978/0125542, 2-tert-butyl-5-({5-[(4-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-2-methyl-1,3-dioxane-4,6-dione, 2-(tert-butyl)-5-((5-((4-chlorophenyl)thio)furan-2-yl)methylene)-2-methyl-1,3-dioxane-4,6-dione, 2-tert-butyl-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-methyl-1,3-dioxane-4,6-dione
| Molecular Formula | C20H19ClO5S |
|---|---|
| Molecular Weight | 406.06 g/mol |
| LogP | 5.3299 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.06418 |
| Heavy Atoms | 27 |
| Complexity | 885.1984 |
Chemical Identifiers
| CAS Number | 681855-75-4 |
|---|---|
| SMILES | CC1(OC(=O)C(=CC2=CC=C(O2)SC3=CC=C(C=C3)Cl)C(=O)O1)C(C)(C)C |
Product Overview
A2978/0125542 (CAS 681855-75-4), with molecular formula C20H19ClO5S and molecular weight 406.06 g/mol. IUPAC: 2-tert-butyl-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-methyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of A2978/0125542
Property Insights of A2978/0125542
The XLogP value of 5.3299 indicates that A2978/0125542 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for A2978/0125542. Following Lipinski's Rule of Five, A2978/0125542 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2978/0125542?
The CAS number of A2978/0125542 is 681855-75-4.
What is the molecular formula of A2978/0125542?
The molecular formula of A2978/0125542 is C20H19ClO5S.
What is the molecular weight of A2978/0125542?
The molecular weight of A2978/0125542 is 406.06 g/mol.
Where can I buy A2978/0125542?
You can request a quote for A2978/0125542 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2978/0125542?
Yes, KEHONG BIO provides custom synthesis services for A2978/0125542 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.