![3-methyl-1-[(2-methyl-3-phenyltetrahydro-5-isoxazolyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile structure](/static/products/3392/339279-32-2.webp)
3-methyl-1-[(2-methyl-3-phenyltetrahydro-5-isoxazolyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
TL;DR: 3-methyl-1-[(2-methyl-3-phenyltetrahydro-5-isoxazolyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile (CAS 339279-32-2) is a chemical compound with molecular formula C17H18N4O3 and molecular weight 326.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
Also Known As: 3-methyl-1-[(2-methyl-3-phenyltetrahydro-5-isoxazolyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile, 3-methyl-1-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile, 3-methyl-1-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
| Molecular Formula | C17H18N4O3 |
|---|---|
| Molecular Weight | 326.14 g/mol |
| LogP | 0.79568 |
| Topological Polar Surface Area | 80.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.13788 |
| Heavy Atoms | 24 |
| Complexity | 894.7773 |
Chemical Identifiers
| CAS Number | 339279-32-2 |
|---|---|
| SMILES | CN1C(CC(O1)CN2C=C(C(=O)N(C2=O)C)C#N)C3=CC=CC=C3 |
Product Overview
3-methyl-1-[(2-methyl-3-phenyltetrahydro-5-isoxazolyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile (CAS 339279-32-2), with molecular formula C17H18N4O3 and molecular weight 326.14 g/mol. IUPAC: 3-methyl-1-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile.
Chemical Property Profile of 3-methyl-1-[(2-methyl-3-phenyltetrahydro-5-isoxazolyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
Property Insights of 3-methyl-1-[(2-methyl-3-phenyltetrahydro-5-isoxazolyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
The XLogP value of 0.79568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-1-[(2-methyl-3-phenyltetrahydro-5-isoxazolyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile. The TPSA of 80.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-1-[(2-methyl-3-phenyltetrahydro-5-isoxazolyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile. Following Lipinski's Rule of Five, 3-methyl-1-[(2-methyl-3-phenyltetrahydro-5-isoxazolyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile 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 3-methyl-1-[(2-methyl-3-phenyltetrahydro-5-isoxazolyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
The CAS number of 3-methyl-1-[(2-methyl-3-phenyltetrahydro-5-isoxazolyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is 339279-32-2.
What is the molecular formula of 3-methyl-1-[(2-methyl-3-phenyltetrahydro-5-isoxazolyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
The molecular formula of 3-methyl-1-[(2-methyl-3-phenyltetrahydro-5-isoxazolyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is C17H18N4O3.
What is the molecular weight of 3-methyl-1-[(2-methyl-3-phenyltetrahydro-5-isoxazolyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
The molecular weight of 3-methyl-1-[(2-methyl-3-phenyltetrahydro-5-isoxazolyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is 326.14 g/mol.
Where can I buy 3-methyl-1-[(2-methyl-3-phenyltetrahydro-5-isoxazolyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
You can request a quote for 3-methyl-1-[(2-methyl-3-phenyltetrahydro-5-isoxazolyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-1-[(2-methyl-3-phenyltetrahydro-5-isoxazolyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-1-[(2-methyl-3-phenyltetrahydro-5-isoxazolyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.