ethyl 2-methyl-4-phenyl-2,3-butadienoate
TL;DR: ethyl 2-methyl-4-phenyl-2,3-butadienoate (CAS 5750-33-4) is a chemical compound with molecular formula C25H22N4O3S2 and molecular weight 490.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methoxydibenzofuran-3-yl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
Also Known As: ethyl 2-methyl-4-phenyl-2,3-butadienoate, 3,3'-(hexane-1,6-diylbis(oxy))bis(N,N,N-trimethylbenzenaminium) chloride, N-(2-methoxydibenzofuran-3-yl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide, N-(2-Methoxydibenzo[b,d]furan-3-yl)-2-{[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl}propanimidic acid
| Molecular Formula | C25H22N4O3S2 |
|---|---|
| Molecular Weight | 490.11 g/mol |
| LogP | 6.61742 |
| Topological Polar Surface Area | 89.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.11334 |
| Heavy Atoms | 34 |
| Complexity | 1477.1349 |
Chemical Identifiers
| CAS Number | 5750-33-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=NN=C(S2)SC(C)C(=O)NC3=C(C=C4C5=CC=CC=C5OC4=C3)OC |
Product Overview
ethyl 2-methyl-4-phenyl-2,3-butadienoate (CAS 5750-33-4), with molecular formula C25H22N4O3S2 and molecular weight 490.11 g/mol. IUPAC: N-(2-methoxydibenzofuran-3-yl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.
Chemical Property Profile of ethyl 2-methyl-4-phenyl-2,3-butadienoate
Property Insights of ethyl 2-methyl-4-phenyl-2,3-butadienoate
The XLogP value of 6.61742 indicates that ethyl 2-methyl-4-phenyl-2,3-butadienoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.28 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-methyl-4-phenyl-2,3-butadienoate. Following Lipinski's Rule of Five, ethyl 2-methyl-4-phenyl-2,3-butadienoate has 2 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 ethyl 2-methyl-4-phenyl-2,3-butadienoate?
The CAS number of ethyl 2-methyl-4-phenyl-2,3-butadienoate is 5750-33-4.
What is the molecular formula of ethyl 2-methyl-4-phenyl-2,3-butadienoate?
The molecular formula of ethyl 2-methyl-4-phenyl-2,3-butadienoate is C25H22N4O3S2.
What is the molecular weight of ethyl 2-methyl-4-phenyl-2,3-butadienoate?
The molecular weight of ethyl 2-methyl-4-phenyl-2,3-butadienoate is 490.11 g/mol.
Where can I buy ethyl 2-methyl-4-phenyl-2,3-butadienoate?
You can request a quote for ethyl 2-methyl-4-phenyl-2,3-butadienoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-methyl-4-phenyl-2,3-butadienoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-methyl-4-phenyl-2,3-butadienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.