1-(3-Methoxypropyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
TL;DR: 1-(3-Methoxypropyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile (CAS 338399-18-1) is a chemical compound with molecular formula C9H11N3O3 and molecular weight 209.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methoxypropyl)-2,4-dioxopyrimidine-5-carbonitrile
Also Known As: 1-(3-methoxypropyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile, 1-(3-Methoxypropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 1-(3-methoxypropyl)-2,4-dioxopyrimidine-5-carbonitrile, 2H-908, methoxypropyldioxotetrahydropyrimidinecarbonitrile
| Molecular Formula | C9H11N3O3 |
|---|---|
| Molecular Weight | 209.08 g/mol |
| LogP | -0.55522 |
| Topological Polar Surface Area | 87.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.08005 |
| Heavy Atoms | 15 |
| Complexity | 480.60153 |
Chemical Identifiers
| CAS Number | 338399-18-1 |
|---|---|
| SMILES | COCCCN1C=C(C(=O)NC1=O)C#N |
Product Overview
1-(3-Methoxypropyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile (CAS 338399-18-1), with molecular formula C9H11N3O3 and molecular weight 209.08 g/mol. IUPAC: 1-(3-methoxypropyl)-2,4-dioxopyrimidine-5-carbonitrile.
Chemical Property Profile of 1-(3-Methoxypropyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
Property Insights of 1-(3-Methoxypropyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
The XLogP value of -0.55522 indicates that 1-(3-Methoxypropyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Methoxypropyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile. Following Lipinski's Rule of Five, 1-(3-Methoxypropyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile has 1 hydrogen bond donor(s) and 4 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 1-(3-Methoxypropyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
The CAS number of 1-(3-Methoxypropyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is 338399-18-1.
What is the molecular formula of 1-(3-Methoxypropyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
The molecular formula of 1-(3-Methoxypropyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is C9H11N3O3.
What is the molecular weight of 1-(3-Methoxypropyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
The molecular weight of 1-(3-Methoxypropyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is 209.08 g/mol.
Where can I buy 1-(3-Methoxypropyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
You can request a quote for 1-(3-Methoxypropyl)-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 1-(3-Methoxypropyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methoxypropyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.