2-(4-Methoxyphenoxy)-5-pyrimidinecarbonitrile
TL;DR: 2-(4-Methoxyphenoxy)-5-pyrimidinecarbonitrile (CAS 400086-00-2) is a chemical compound with molecular formula C12H9N3O2 and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenoxy)pyrimidine-5-carbonitrile
Also Known As: 2-(4-methoxyphenoxy)-5-pyrimidinecarbonitrile, 2-(4-methoxyphenoxy)pyrimidine-5-carbonitrile, 7E-042
| Molecular Formula | C12H9N3O2 |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 2.14918 |
| Topological Polar Surface Area | 68.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.06947 |
| Heavy Atoms | 17 |
| Complexity | 529.17236 |
Chemical Identifiers
| CAS Number | 400086-00-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OC2=NC=C(C=N2)C#N |
Product Overview
2-(4-Methoxyphenoxy)-5-pyrimidinecarbonitrile (CAS 400086-00-2), with molecular formula C12H9N3O2 and molecular weight 227.07 g/mol. IUPAC: 2-(4-methoxyphenoxy)pyrimidine-5-carbonitrile.
Chemical Property Profile of 2-(4-Methoxyphenoxy)-5-pyrimidinecarbonitrile
Property Insights of 2-(4-Methoxyphenoxy)-5-pyrimidinecarbonitrile
The XLogP value of 2.14918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methoxyphenoxy)-5-pyrimidinecarbonitrile. The TPSA of 68.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methoxyphenoxy)-5-pyrimidinecarbonitrile. Following Lipinski's Rule of Five, 2-(4-Methoxyphenoxy)-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 2-(4-Methoxyphenoxy)-5-pyrimidinecarbonitrile?
The CAS number of 2-(4-Methoxyphenoxy)-5-pyrimidinecarbonitrile is 400086-00-2.
What is the molecular formula of 2-(4-Methoxyphenoxy)-5-pyrimidinecarbonitrile?
The molecular formula of 2-(4-Methoxyphenoxy)-5-pyrimidinecarbonitrile is C12H9N3O2.
What is the molecular weight of 2-(4-Methoxyphenoxy)-5-pyrimidinecarbonitrile?
The molecular weight of 2-(4-Methoxyphenoxy)-5-pyrimidinecarbonitrile is 227.07 g/mol.
Where can I buy 2-(4-Methoxyphenoxy)-5-pyrimidinecarbonitrile?
You can request a quote for 2-(4-Methoxyphenoxy)-5-pyrimidinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methoxyphenoxy)-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methoxyphenoxy)-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.