5-(Azepan-1-yliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
TL;DR: 5-(Azepan-1-yliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione (CAS 4867-70-3) is a chemical compound with molecular formula C18H22N4O4 and molecular weight 358.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(azepan-1-yliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
| Molecular Formula | C18H22N4O4 |
|---|---|
| Molecular Weight | 358.16 g/mol |
| LogP | 1.4499 |
| Topological Polar Surface Area | 99.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.1641 |
| Heavy Atoms | 26 |
| Complexity | 890.88763 |
Chemical Identifiers
| CAS Number | 4867-70-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=C(C(=O)NC2=O)C=NN3CCCCCC3)O |
Product Overview
5-(Azepan-1-yliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione (CAS 4867-70-3), with molecular formula C18H22N4O4 and molecular weight 358.16 g/mol. IUPAC: 5-(azepan-1-yliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione.
Chemical Property Profile of 5-(Azepan-1-yliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
Property Insights of 5-(Azepan-1-yliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
The XLogP value of 1.4499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Azepan-1-yliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione. The TPSA of 99.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Azepan-1-yliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 5-(Azepan-1-yliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione has 2 hydrogen bond donor(s) and 6 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 5-(Azepan-1-yliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The CAS number of 5-(Azepan-1-yliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione is 4867-70-3.
What is the molecular formula of 5-(Azepan-1-yliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The molecular formula of 5-(Azepan-1-yliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione is C18H22N4O4.
What is the molecular weight of 5-(Azepan-1-yliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The molecular weight of 5-(Azepan-1-yliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione is 358.16 g/mol.
Where can I buy 5-(Azepan-1-yliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
You can request a quote for 5-(Azepan-1-yliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Azepan-1-yliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(Azepan-1-yliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.