2,2-Dimethyl-4,4-diphenyl-3-butenal
TL;DR: 2,2-Dimethyl-4,4-diphenyl-3-butenal (CAS 5820-02-0) is a chemical compound with molecular formula C29H25N3O6S2 and molecular weight 575.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-methyl-2-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene]-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: 2,2-Dimethyl-4,4-diphenyl-3-butenal, ethyl 7-methyl-2-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene]-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ETHYL (8Z)-4-METHYL-8-[[5-(4-METHYL-2-NITRO-PHENYL)-2-FURYL]METHYLIDENE]-2-(4-METHYLSULFANYLPHENYL)-9-OXO-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE, Ethyl 7-methyl-2-{[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene}-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C29H25N3O6S2 |
|---|---|
| Molecular Weight | 575.12 g/mol |
| LogP | 4.99682 |
| Topological Polar Surface Area | 116.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 575.11847 |
| Heavy Atoms | 40 |
| Complexity | 1847.2008 |
Chemical Identifiers
| CAS Number | 5820-02-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)SC)C(=O)C(=CC4=CC=C(O4)C5=C(C=C(C=C5)C)[N+](=O)[O-])S2)C |
Product Overview
2,2-Dimethyl-4,4-diphenyl-3-butenal (CAS 5820-02-0), with molecular formula C29H25N3O6S2 and molecular weight 575.12 g/mol. IUPAC: ethyl 7-methyl-2-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene]-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of 2,2-Dimethyl-4,4-diphenyl-3-butenal
Property Insights of 2,2-Dimethyl-4,4-diphenyl-3-butenal
The XLogP value of 4.99682 indicates that 2,2-Dimethyl-4,4-diphenyl-3-butenal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dimethyl-4,4-diphenyl-3-butenal. Following Lipinski's Rule of Five, 2,2-Dimethyl-4,4-diphenyl-3-butenal has 0 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 2,2-Dimethyl-4,4-diphenyl-3-butenal?
The CAS number of 2,2-Dimethyl-4,4-diphenyl-3-butenal is 5820-02-0.
What is the molecular formula of 2,2-Dimethyl-4,4-diphenyl-3-butenal?
The molecular formula of 2,2-Dimethyl-4,4-diphenyl-3-butenal is C29H25N3O6S2.
What is the molecular weight of 2,2-Dimethyl-4,4-diphenyl-3-butenal?
The molecular weight of 2,2-Dimethyl-4,4-diphenyl-3-butenal is 575.12 g/mol.
Where can I buy 2,2-Dimethyl-4,4-diphenyl-3-butenal?
You can request a quote for 2,2-Dimethyl-4,4-diphenyl-3-butenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-4,4-diphenyl-3-butenal?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-4,4-diphenyl-3-butenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.