9-(3,4-Dihydroxybutyl)adenine
TL;DR: 9-(3,4-Dihydroxybutyl)adenine (CAS 7248-75-1) is a chemical compound with molecular formula C9H13N5O2 and molecular weight 223.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-(6-aminopurin-9-yl)butane-1,2-diol
Also Known As: 9-Dhbad, 9-(3,4-Dihydroxybutyl)adenine, (2S)-4-(6-aminopurin-9-yl)butane-1,2-diol, KST-1A7851, 9-[(S)-3,4-Dihydroxybutyl]adenine
| Molecular Formula | C9H13N5O2 |
|---|---|
| Molecular Weight | 223.11 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.10692 |
| Heavy Atoms | 16 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 7248-75-1 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)CC[C@@H](CO)O)N |
| InChIKey | SJTGBHCHRMNUPZ-LURJTMIESA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-(3,4-Dihydroxybutyl)adenine (CAS 7248-75-1), with molecular formula C9H13N5O2 and molecular weight 223.11 g/mol. IUPAC: (2S)-4-(6-aminopurin-9-yl)butane-1,2-diol.
Chemical Property Profile of 9-(3,4-Dihydroxybutyl)adenine
Property Insights of 9-(3,4-Dihydroxybutyl)adenine
The XLogP value of -1.1 indicates that 9-(3,4-Dihydroxybutyl)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-(3,4-Dihydroxybutyl)adenine. Following Lipinski's Rule of Five, 9-(3,4-Dihydroxybutyl)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
Frequently Asked Questions
What is the CAS number of 9-(3,4-Dihydroxybutyl)adenine?
The CAS number of 9-(3,4-Dihydroxybutyl)adenine is 7248-75-1.
What is the molecular formula of 9-(3,4-Dihydroxybutyl)adenine?
The molecular formula of 9-(3,4-Dihydroxybutyl)adenine is C9H13N5O2.
What is the molecular weight of 9-(3,4-Dihydroxybutyl)adenine?
The molecular weight of 9-(3,4-Dihydroxybutyl)adenine is 223.11 g/mol.
Where can I buy 9-(3,4-Dihydroxybutyl)adenine?
You can request a quote for 9-(3,4-Dihydroxybutyl)adenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(3,4-Dihydroxybutyl)adenine?
Yes, KEHONG BIO provides custom synthesis services for 9-(3,4-Dihydroxybutyl)adenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.