2,2-Dimethyl-4,4-diphenyl-3-butenal
TL;DR: 2,2-Dimethyl-4,4-diphenyl-3-butenal (CAS 5820-10-0) is a chemical compound with molecular formula C29H24Cl2N2O6S and molecular weight 598.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: 2,2-Dimethyl-4,4-diphenyl-3-butenal, ethyl 2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ETHYL (8Z)-8-[[5-(2,3-DICHLOROPHENYL)-2-FURYL]METHYLIDENE]-2-(2,5-DIMETHOXYPHENYL)-4-METHYL-9-OXO-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE, Ethyl 2-{[5-(2,3-dichlorophenyl)furan-2-yl]methylidene}-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C29H24Cl2N2O6S |
|---|---|
| Molecular Weight | 598.07 g/mol |
| LogP | 5.3823 |
| Topological Polar Surface Area | 92.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 598.07324 |
| Heavy Atoms | 40 |
| Complexity | 1835.3835 |
Chemical Identifiers
| CAS Number | 5820-10-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=C(C=CC(=C3)OC)OC)C(=O)C(=CC4=CC=C(O4)C5=C(C(=CC=C5)Cl)Cl)S2)C |
Product Overview
2,2-Dimethyl-4,4-diphenyl-3-butenal (CAS 5820-10-0), with molecular formula C29H24Cl2N2O6S and molecular weight 598.07 g/mol. IUPAC: ethyl 2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-5-(2,5-dimethoxyphenyl)-7-methyl-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 5.3823 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 92.26 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 8 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 5820-10-0.
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 C29H24Cl2N2O6S.
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 598.07 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.