9-(4-Hydroxy-3-(hydroxymethyl)-2-butenyl)adenine
TL;DR: 9-(4-Hydroxy-3-(hydroxymethyl)-2-butenyl)adenine (CAS 114979-10-1) is a chemical compound with molecular formula C10H13N5O2 and molecular weight 235.10692 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(6-aminopurin-9-yl)ethylidene]propane-1,3-diol
Also Known As: 9-Hhmba, 9-(4-Hydroxy-3-(hydroxymethyl)-2-butenyl)adenine, 9-<4-Carboxy-benzyl>-hypoxanthin, 2-[2-(6-aminopurin-9-yl)ethylidene]propane-1,3-diol, 2-[2-(6-amino-9H-purin-9-yl)ethylidene]propane-1,3-diol
Technical Specifications
| Molecular Formula | C10H13N5O2 |
| Molecular Weight | 235.10692 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.10692 Da |
| Heavy Atoms | 17 |
| Complexity | 280.0 |
| SMILES | C1=NC(=C2C(=N1)N(C=N2)CC=C(CO)CO)N |
| InChIKey | GVACIKDVFKGHHK-UHFFFAOYSA-N |
Chemical Property Profile of 9-(4-Hydroxy-3-(hydroxymethyl)-2-butenyl)adenine
Property Insights of 9-(4-Hydroxy-3-(hydroxymethyl)-2-butenyl)adenine
The XLogP value of -1.0 indicates that 9-(4-Hydroxy-3-(hydroxymethyl)-2-butenyl)adenine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(4-Hydroxy-3-(hydroxymethyl)-2-butenyl)adenine. Following Lipinski's Rule of Five, 9-(4-Hydroxy-3-(hydroxymethyl)-2-butenyl)adenine has 3 hydrogen bond donor(s) and 6 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-(4-Hydroxy-3-(hydroxymethyl)-2-butenyl)adenine?
The CAS number of 9-(4-Hydroxy-3-(hydroxymethyl)-2-butenyl)adenine is 114979-10-1.
What is the molecular formula of 9-(4-Hydroxy-3-(hydroxymethyl)-2-butenyl)adenine?
The molecular formula of 9-(4-Hydroxy-3-(hydroxymethyl)-2-butenyl)adenine is C10H13N5O2.
What is the molecular weight of 9-(4-Hydroxy-3-(hydroxymethyl)-2-butenyl)adenine?
The molecular weight of 9-(4-Hydroxy-3-(hydroxymethyl)-2-butenyl)adenine is 235.10692 g/mol.
Where can I buy 9-(4-Hydroxy-3-(hydroxymethyl)-2-butenyl)adenine?
You can request a quote for 9-(4-Hydroxy-3-(hydroxymethyl)-2-butenyl)adenine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9-(4-Hydroxy-3-(hydroxymethyl)-2-butenyl)adenine?
Yes, CoreyChem provides custom synthesis services for 9-(4-Hydroxy-3-(hydroxymethyl)-2-butenyl)adenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.