Methyl 4-(1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)butanoate
TL;DR: Methyl 4-(1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)butanoate (CAS 478046-32-1) is a chemical compound with molecular formula C11H16N2O5 and molecular weight 256.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)butanoate
Also Known As: methyl 4-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)butanoate, 4R-0088, methyl 4-(1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)butanoate
| Molecular Formula | C11H16N2O5 |
|---|---|
| Molecular Weight | 256.11 g/mol |
| LogP | -0.0037 |
| Topological Polar Surface Area | 83.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.10593 |
| Heavy Atoms | 18 |
| Complexity | 368.8948 |
Chemical Identifiers
| CAS Number | 478046-32-1 |
|---|---|
| SMILES | CN1C(=O)C(C(=O)N(C1=O)C)CCCC(=O)OC |
Product Overview
Methyl 4-(1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)butanoate (CAS 478046-32-1), with molecular formula C11H16N2O5 and molecular weight 256.11 g/mol. IUPAC: methyl 4-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)butanoate.
Chemical Property Profile of Methyl 4-(1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)butanoate
Property Insights of Methyl 4-(1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)butanoate
The XLogP value of -0.0037 indicates that Methyl 4-(1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)butanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)butanoate. Following Lipinski's Rule of Five, Methyl 4-(1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)butanoate has 0 hydrogen bond donor(s) and 5 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-(1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)butanoate?
The CAS number of Methyl 4-(1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)butanoate is 478046-32-1.
What is the molecular formula of Methyl 4-(1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)butanoate?
The molecular formula of Methyl 4-(1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)butanoate is C11H16N2O5.
What is the molecular weight of Methyl 4-(1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)butanoate?
The molecular weight of Methyl 4-(1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)butanoate is 256.11 g/mol.
Where can I buy Methyl 4-(1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)butanoate?
You can request a quote for Methyl 4-(1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.