阿德福韦
TL;DR: 阿德福韦 (CAS 106941-25-7) is a chemical compound with molecular formula C8H12N5O4P and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿德福韦
2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid
Also Known As: ADEFOVIR, PMEA, Adefovirum, 9-(2-Phosphonylmethoxyethyl)adenine, Adefovir/PMEA
| Molecular Formula | C8H12N5O4P |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.06268 |
| Heavy Atoms | 18 |
| Complexity | 327.0 |
| Melting Point | >250 °C |
| Solubility | MW: 501.47. Off-white crystalline powder. Solubility in water (mg/mL): 19 (pH 2.0); 0.4 (pH 7.2); log Kow (octanol/aqueous phosphate buffer): 1.91 /Adefovir di(pivaloyloxymethyl) ester/ |
Chemical Identifiers
| CAS Number | 106941-25-7 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)CCOCP(=O)(O)O)N |
| InChIKey | SUPKOOSCJHTBAH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿德福韦 (CAS 106941-25-7), with molecular formula C8H12N5O4P and molecular weight 273.06 g/mol. IUPAC: 2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid.
Chemical Property Profile of 阿德福韦
Property Insights of 阿德福韦
The XLogP value of -2.0 indicates that 阿德福韦 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 阿德福韦. Following Lipinski's Rule of Five, 阿德福韦 has 3 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 阿德福韦?
The CAS number of 阿德福韦 is 106941-25-7.
What is the molecular formula of 阿德福韦?
The molecular formula of 阿德福韦 is C8H12N5O4P.
What is the molecular weight of 阿德福韦?
The molecular weight of 阿德福韦 is 273.06 g/mol.
Where can I buy 阿德福韦?
You can request a quote for 阿德福韦 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿德福韦?
Yes, KEHONG BIO provides custom synthesis services for 阿德福韦 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.