1,2-Bis-acetoxymethoxy-aethan
TL;DR: 1,2-Bis-acetoxymethoxy-aethan (CAS 90117-04-7) is a chemical compound with molecular formula C12H21N7O2 and molecular weight 295.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-amino-3-butyltriazolo[4,5-d]pyrimidin-7-yl)-(2-hydroxyethyl)amino]ethanol
Also Known As: 1,2-Bis-acetoxymethoxy-aethan, 2,2'-[(5-Amino-3-butyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)azanediyl]di(ethan-1-ol), 2-[(5-amino-3-butyltriazolo[4,5-d]pyrimidin-7-yl)-(2-hydroxy, 2-[(5-amino-3-butyltriazolo[4,5-d]pyrimidin-7-yl)-(2-hydroxyethyl)amino]ethanol, 2,2'-[(5-amino-3-butyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)imino]diethanol
| Molecular Formula | C12H21N7O2 |
|---|---|
| Molecular Weight | 295.18 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 295.17566 |
| Heavy Atoms | 21 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 90117-04-7 |
|---|---|
| SMILES | CCCCN1C2=C(C(=NC(=N2)N)N(CCO)CCO)N=N1 |
| InChIKey | AMQCHMUWNMOVQN-UHFFFAOYSA-N |
Product Overview
1,2-Bis-acetoxymethoxy-aethan (CAS 90117-04-7), with molecular formula C12H21N7O2 and molecular weight 295.18 g/mol. IUPAC: 2-[(5-amino-3-butyltriazolo[4,5-d]pyrimidin-7-yl)-(2-hydroxyethyl)amino]ethanol.
Chemical Property Profile of 1,2-Bis-acetoxymethoxy-aethan
Property Insights of 1,2-Bis-acetoxymethoxy-aethan
The XLogP value of -0.3 indicates that 1,2-Bis-acetoxymethoxy-aethan is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Bis-acetoxymethoxy-aethan. Following Lipinski's Rule of Five, 1,2-Bis-acetoxymethoxy-aethan 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 1,2-Bis-acetoxymethoxy-aethan?
The CAS number of 1,2-Bis-acetoxymethoxy-aethan is 90117-04-7.
What is the molecular formula of 1,2-Bis-acetoxymethoxy-aethan?
The molecular formula of 1,2-Bis-acetoxymethoxy-aethan is C12H21N7O2.
What is the molecular weight of 1,2-Bis-acetoxymethoxy-aethan?
The molecular weight of 1,2-Bis-acetoxymethoxy-aethan is 295.18 g/mol.
Where can I buy 1,2-Bis-acetoxymethoxy-aethan?
You can request a quote for 1,2-Bis-acetoxymethoxy-aethan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Bis-acetoxymethoxy-aethan?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Bis-acetoxymethoxy-aethan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.