Nicophyllin
TL;DR: Nicophyllin (CAS 53890-71-4) is a chemical compound with molecular formula C15H21N7O4 and molecular weight 363.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7H-purine-2,6-dione;ethane-1,2-diamine;pyridine-3-carboxylic acid
Also Known As: Nicophyllin, Nicophylline, Nicofolina, 4-Nicotionylmorpholin, 1,3-dimethyl-7H-purine-2,6-dione;ethane-1,2-diamine;pyridine-3-carboxylic acid
| Molecular Formula | C15H21N7O4 |
|---|---|
| Molecular Weight | 363.17 g/mol |
| LogP | -1.3561 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 363.1655 |
| Heavy Atoms | 26 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 53890-71-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC=N2.C1=CC(=CN=C1)C(=O)O.C(CN)N |
| InChIKey | UPPYYQSTMLYYNF-UHFFFAOYSA-N |
Product Overview
Nicophyllin (CAS 53890-71-4), with molecular formula C15H21N7O4 and molecular weight 363.17 g/mol. IUPAC: 1,3-dimethyl-7H-purine-2,6-dione;ethane-1,2-diamine;pyridine-3-carboxylic acid.
Chemical Property Profile of Nicophyllin
Property Insights of Nicophyllin
The XLogP value of -1.3561 indicates that Nicophyllin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 172.0 Ų indicates high polarity, suggesting Nicophyllin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nicophyllin has 4 hydrogen bond donor(s) and 8 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 Nicophyllin?
The CAS number of Nicophyllin is 53890-71-4.
What is the molecular formula of Nicophyllin?
The molecular formula of Nicophyllin is C15H21N7O4.
What is the molecular weight of Nicophyllin?
The molecular weight of Nicophyllin is 363.17 g/mol.
Where can I buy Nicophyllin?
You can request a quote for Nicophyllin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicophyllin?
Yes, KEHONG BIO provides custom synthesis services for Nicophyllin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.