methyl (E)-4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate
TL;DR: methyl (E)-4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate (CAS 33161-75-0) is a chemical compound with molecular formula C11H13N3O5 and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate
Also Known As: tert-butoxycarbonyl-L-phenylalanyl-L-leucine, methyl (E)-4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate, methyl 4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-ox, methyl 4-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-4-oxobut-2-enoate, methyl 4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate
| Molecular Formula | C11H13N3O5 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | -1.4219 |
| Topological Polar Surface Area | 113.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.0855 |
| Heavy Atoms | 19 |
| Complexity | 680.7967 |
Chemical Identifiers
| CAS Number | 33161-75-0 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=O)C)C(=O)/C=C/C(=O)OC)N |
Product Overview
methyl (E)-4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate (CAS 33161-75-0), with molecular formula C11H13N3O5 and molecular weight 267.09 g/mol. IUPAC: methyl (E)-4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate.
Chemical Property Profile of methyl (E)-4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate
Property Insights of methyl (E)-4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate
The XLogP value of -1.4219 indicates that methyl (E)-4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.39 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (E)-4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate. Following Lipinski's Rule of Five, methyl (E)-4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl (E)-4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate?
The CAS number of methyl (E)-4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate is 33161-75-0.
What is the molecular formula of methyl (E)-4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate?
The molecular formula of methyl (E)-4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate is C11H13N3O5.
What is the molecular weight of methyl (E)-4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate?
The molecular weight of methyl (E)-4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate is 267.09 g/mol.
Where can I buy methyl (E)-4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate?
You can request a quote for methyl (E)-4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (E)-4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (E)-4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.