9-(3-Amino-2-(phosphonomethoxy)propyl)adenine
TL;DR: 9-(3-Amino-2-(phosphonomethoxy)propyl)adenine (CAS 121561-85-1) is a chemical compound with molecular formula C9H15N6O4P and molecular weight 302.08923 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-amino-3-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid
Also Known As: APMPA, 9-(3-Amino-2-(phosphonomethoxy)propyl)adenine, 9-(3-Isopropoxy-2-phosphonylmethoxypropyl)adenine, [1-(aminomethyl)-2-(6-aminopurin-9-yl)ethoxy]methylphosphonic acid, [1-amino-3-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid
Technical Specifications
| Molecular Formula | C9H15N6O4P |
| Molecular Weight | 302.08923 g/mol |
| XLogP | -5.2 |
| Topological Polar Surface Area (TPSA) | 162.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.08923 Da |
| Heavy Atoms | 20 |
| Complexity | 368.0 |
| SMILES | C1=NC(=C2C(=N1)N(C=N2)CC(CN)OCP(=O)(O)O)N |
| InChIKey | ULRASSNVJHWKCB-UHFFFAOYSA-N |
Chemical Property Profile of 9-(3-Amino-2-(phosphonomethoxy)propyl)adenine
Property Insights of 9-(3-Amino-2-(phosphonomethoxy)propyl)adenine
The XLogP value of -5.2 indicates that 9-(3-Amino-2-(phosphonomethoxy)propyl)adenine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 162.0 Ų indicates high polarity, suggesting 9-(3-Amino-2-(phosphonomethoxy)propyl)adenine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-(3-Amino-2-(phosphonomethoxy)propyl)adenine has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 9-(3-Amino-2-(phosphonomethoxy)propyl)adenine?
The CAS number of 9-(3-Amino-2-(phosphonomethoxy)propyl)adenine is 121561-85-1.
What is the molecular formula of 9-(3-Amino-2-(phosphonomethoxy)propyl)adenine?
The molecular formula of 9-(3-Amino-2-(phosphonomethoxy)propyl)adenine is C9H15N6O4P.
What is the molecular weight of 9-(3-Amino-2-(phosphonomethoxy)propyl)adenine?
The molecular weight of 9-(3-Amino-2-(phosphonomethoxy)propyl)adenine is 302.08923 g/mol.
Where can I buy 9-(3-Amino-2-(phosphonomethoxy)propyl)adenine?
You can request a quote for 9-(3-Amino-2-(phosphonomethoxy)propyl)adenine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9-(3-Amino-2-(phosphonomethoxy)propyl)adenine?
Yes, CoreyChem provides custom synthesis services for 9-(3-Amino-2-(phosphonomethoxy)propyl)adenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.