9-((2R,4S)-4-(Hydroxymethyl)-2-oxetanyl)adenine
TL;DR: 9-((2R,4S)-4-(Hydroxymethyl)-2-oxetanyl)adenine (CAS 126170-40-9) is a chemical compound with molecular formula C9H11N5O2 and molecular weight 221.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,4R)-4-(6-aminopurin-9-yl)oxetan-2-yl]methanol
Also Known As: OHMe-oxetanyl-A, Albucidin, (1R,3S)-Albucidin, 9-((2R,4S)-4-(Hydroxymethyl)-2-oxetanyl)adenine, [(2S,4R)-4-(6-aminopurin-9-yl)oxetan-2-yl]methanol
| Molecular Formula | C9H11N5O2 |
|---|---|
| Molecular Weight | 221.09 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.09128 |
| Heavy Atoms | 16 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 126170-40-9 |
|---|---|
| SMILES | C1[C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO |
| InChIKey | QNROWADMDDKKHX-NTSWFWBYSA-N |
Product Overview
9-((2R,4S)-4-(Hydroxymethyl)-2-oxetanyl)adenine (CAS 126170-40-9), with molecular formula C9H11N5O2 and molecular weight 221.09 g/mol. IUPAC: [(2S,4R)-4-(6-aminopurin-9-yl)oxetan-2-yl]methanol.
Chemical Property Profile of 9-((2R,4S)-4-(Hydroxymethyl)-2-oxetanyl)adenine
Property Insights of 9-((2R,4S)-4-(Hydroxymethyl)-2-oxetanyl)adenine
The XLogP value of -0.6 indicates that 9-((2R,4S)-4-(Hydroxymethyl)-2-oxetanyl)adenine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-((2R,4S)-4-(Hydroxymethyl)-2-oxetanyl)adenine. Following Lipinski's Rule of Five, 9-((2R,4S)-4-(Hydroxymethyl)-2-oxetanyl)adenine has 2 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-((2R,4S)-4-(Hydroxymethyl)-2-oxetanyl)adenine?
The CAS number of 9-((2R,4S)-4-(Hydroxymethyl)-2-oxetanyl)adenine is 126170-40-9.
What is the molecular formula of 9-((2R,4S)-4-(Hydroxymethyl)-2-oxetanyl)adenine?
The molecular formula of 9-((2R,4S)-4-(Hydroxymethyl)-2-oxetanyl)adenine is C9H11N5O2.
What is the molecular weight of 9-((2R,4S)-4-(Hydroxymethyl)-2-oxetanyl)adenine?
The molecular weight of 9-((2R,4S)-4-(Hydroxymethyl)-2-oxetanyl)adenine is 221.09 g/mol.
Where can I buy 9-((2R,4S)-4-(Hydroxymethyl)-2-oxetanyl)adenine?
You can request a quote for 9-((2R,4S)-4-(Hydroxymethyl)-2-oxetanyl)adenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-((2R,4S)-4-(Hydroxymethyl)-2-oxetanyl)adenine?
Yes, KEHONG BIO provides custom synthesis services for 9-((2R,4S)-4-(Hydroxymethyl)-2-oxetanyl)adenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.