1-(4-Methoxybenzyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
TL;DR: 1-(4-Methoxybenzyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile (CAS 131699-05-3) is a chemical compound with molecular formula C13H11N3O3 and molecular weight 257.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
Also Known As: 1-(4-methoxybenzyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile, 1-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 1-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidine-5-carbonitrile, 10L-928, 1-[(4-methoxyphenyl)methyl]-2,4-dioxo-pyrimidine-5-carbonitrile
| Molecular Formula | C13H11N3O3 |
|---|---|
| Molecular Weight | 257.08 g/mol |
| LogP | 0.46518 |
| Topological Polar Surface Area | 87.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.08005 |
| Heavy Atoms | 19 |
| Complexity | 735.45435 |
Chemical Identifiers
| CAS Number | 131699-05-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2C=C(C(=O)NC2=O)C#N |
Product Overview
1-(4-Methoxybenzyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile (CAS 131699-05-3), with molecular formula C13H11N3O3 and molecular weight 257.08 g/mol. IUPAC: 1-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidine-5-carbonitrile.
Chemical Property Profile of 1-(4-Methoxybenzyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
Property Insights of 1-(4-Methoxybenzyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
The XLogP value of 0.46518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methoxybenzyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile. The TPSA of 87.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methoxybenzyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile. Following Lipinski's Rule of Five, 1-(4-Methoxybenzyl)-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-(4-Methoxybenzyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
The CAS number of 1-(4-Methoxybenzyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is 131699-05-3.
What is the molecular formula of 1-(4-Methoxybenzyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
The molecular formula of 1-(4-Methoxybenzyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is C13H11N3O3.
What is the molecular weight of 1-(4-Methoxybenzyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
The molecular weight of 1-(4-Methoxybenzyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is 257.08 g/mol.
Where can I buy 1-(4-Methoxybenzyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
You can request a quote for 1-(4-Methoxybenzyl)-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-(4-Methoxybenzyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methoxybenzyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.