Methyl 4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate
TL;DR: Methyl 4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate (CAS 33016-11-4) 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 4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate
Also Known As: methyl 4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate, 2-Butenoicacid,4-(6-amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)-4-oxo-,methyl ester, (E)- (9CI)
| Molecular Formula | C11H13N3O5 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.0855 |
| Heavy Atoms | 19 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 33016-11-4 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=O)C)C(=O)C=CC(=O)OC)N |
| InChIKey | KIMNLLMLDSUXFJ-UHFFFAOYSA-N |
Product Overview
Methyl 4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate (CAS 33016-11-4), with molecular formula C11H13N3O5 and molecular weight 267.09 g/mol. IUPAC: methyl 4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate.
Chemical Property Profile of Methyl 4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate
Property Insights of Methyl 4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate
The XLogP value of -0.5 indicates that Methyl 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 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate. Following Lipinski's Rule of Five, Methyl 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 4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate?
The CAS number of Methyl 4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate is 33016-11-4.
What is the molecular formula of Methyl 4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate?
The molecular formula of Methyl 4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate is C11H13N3O5.
What is the molecular weight of Methyl 4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate?
The molecular weight of Methyl 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 4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate?
You can request a quote for Methyl 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 4-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxobut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 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.