次黄嘌呤
TL;DR: 次黄嘌呤 (CAS 68-94-0) is a chemical compound with molecular formula C5H4N4O and molecular weight 136.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
次黄嘌呤
3,7-dihydropurin-6-one
| Molecular Formula | C5H4N4O |
|---|---|
| Molecular Weight | 136.04 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.03851 |
| Heavy Atoms | 10 |
| Complexity | 190.0 |
| Melting Point | 150 °C |
| Solubility | 0.7 mg/mL |
Chemical Identifiers
| CAS Number | 68-94-0 |
|---|---|
| SMILES | C1=NC2=C(N1)C(=O)N=CN2 |
| InChIKey | FDGQSTZJBFJUBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
次黄嘌呤 (CAS 68-94-0), with molecular formula C5H4N4O and molecular weight 136.04 g/mol. IUPAC: 3,7-dihydropurin-6-one.
Chemical Property Profile of 次黄嘌呤
Property Insights of 次黄嘌呤
The XLogP value of -1.1 indicates that 次黄嘌呤 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 次黄嘌呤. Following Lipinski's Rule of Five, 次黄嘌呤 has 2 hydrogen bond donor(s) and 2 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 次黄嘌呤?
The CAS number of 次黄嘌呤 is 68-94-0.
What is the molecular formula of 次黄嘌呤?
The molecular formula of 次黄嘌呤 is C5H4N4O.
What is the molecular weight of 次黄嘌呤?
The molecular weight of 次黄嘌呤 is 136.04 g/mol.
Where can I buy 次黄嘌呤?
You can request a quote for 次黄嘌呤 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 次黄嘌呤?
Yes, KEHONG BIO provides custom synthesis services for 次黄嘌呤 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.