AE-018/31866026
TL;DR: AE-018/31866026 (CAS 339049-79-5) is a chemical compound with molecular formula C13H21N5O5 and molecular weight 327.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexane-1,2,3,4,5-pentol
Also Known As: AE-018/31866026, 6-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexane-1,2,3,4,5-pentol, 1-Deoxy-1-[methyl(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexitol, 6-[methyl(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1,2,3,4,5-hexanepentol
| Molecular Formula | C13H21N5O5 |
|---|---|
| Molecular Weight | 327.15 g/mol |
| LogP | -2.69518 |
| Topological Polar Surface Area | 147.47 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 327.15427 |
| Heavy Atoms | 23 |
| Complexity | 650.717 |
Chemical Identifiers
| CAS Number | 339049-79-5 |
|---|---|
| SMILES | CC1=NC2=NC=NN2C(=C1)N(C)CC(C(C(C(CO)O)O)O)O |
Product Overview
AE-018/31866026 (CAS 339049-79-5), with molecular formula C13H21N5O5 and molecular weight 327.15 g/mol. IUPAC: 6-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexane-1,2,3,4,5-pentol.
Chemical Property Profile of AE-018/31866026
Property Insights of AE-018/31866026
The XLogP value of -2.69518 indicates that AE-018/31866026 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.47 Ų indicates high polarity, suggesting AE-018/31866026 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AE-018/31866026 has 5 hydrogen bond donor(s) and 9 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 AE-018/31866026?
The CAS number of AE-018/31866026 is 339049-79-5.
What is the molecular formula of AE-018/31866026?
The molecular formula of AE-018/31866026 is C13H21N5O5.
What is the molecular weight of AE-018/31866026?
The molecular weight of AE-018/31866026 is 327.15 g/mol.
Where can I buy AE-018/31866026?
You can request a quote for AE-018/31866026 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-018/31866026?
Yes, KEHONG BIO provides custom synthesis services for AE-018/31866026 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.