4-(2-phenylethenyl)pyrimidine
TL;DR: 4-(2-phenylethenyl)pyrimidine (CAS 39818-12-7) is a chemical compound with molecular formula C28H33NO10 and molecular weight 543.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7R,8R)-7-(3,4,5-trimethoxybenzoyl)oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 3,4,5-trimethoxybenzoate
Also Known As: 4-(2-phenylethenyl)pyrimidine, Retronecine trimethoxybenzoate ester, Benzoic acid, 3,4,5-trimethoxy-, 2,3,5,7a-tetrahydro-7-(((3,4,5-trimethoxybenzoyl)oxy)methyl)-1H-pyrrolizin-1-yl ester, (1R-trans)-, [(7R,8R)-7-(3,4,5-trimethoxybenzoyl)oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 3,4,5-trimethoxybenzoate, (1R,7aR)-7-{[(3,4,5-Trimethoxybenzoyl)oxy]methyl}-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl 3,4,5-trimethoxybenzoate
| Molecular Formula | C28H33NO10 |
|---|---|
| Molecular Weight | 543.21 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 543.21045 |
| Heavy Atoms | 39 |
| Complexity | 839.0 |
Chemical Identifiers
| CAS Number | 39818-12-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC |
| InChIKey | AJFKVHZDMYZEKR-NTKDMRAZSA-N |
Product Overview
4-(2-phenylethenyl)pyrimidine (CAS 39818-12-7), with molecular formula C28H33NO10 and molecular weight 543.21 g/mol. IUPAC: [(7R,8R)-7-(3,4,5-trimethoxybenzoyl)oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 4-(2-phenylethenyl)pyrimidine
Property Insights of 4-(2-phenylethenyl)pyrimidine
The XLogP value of 3.0 indicates that 4-(2-phenylethenyl)pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-phenylethenyl)pyrimidine. Following Lipinski's Rule of Five, 4-(2-phenylethenyl)pyrimidine has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(2-phenylethenyl)pyrimidine?
The CAS number of 4-(2-phenylethenyl)pyrimidine is 39818-12-7.
What is the molecular formula of 4-(2-phenylethenyl)pyrimidine?
The molecular formula of 4-(2-phenylethenyl)pyrimidine is C28H33NO10.
What is the molecular weight of 4-(2-phenylethenyl)pyrimidine?
The molecular weight of 4-(2-phenylethenyl)pyrimidine is 543.21 g/mol.
Where can I buy 4-(2-phenylethenyl)pyrimidine?
You can request a quote for 4-(2-phenylethenyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-phenylethenyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-phenylethenyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.