Iso-Olomoucine
TL;DR: Iso-Olomoucine (CAS 101622-50-8) is a chemical compound with molecular formula C15H18N6O and molecular weight 298.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-(benzylamino)-7-methylpurin-2-yl]amino]ethanol
Also Known As: Iso-Olomoucine, Isoolomoucine, Olomoucine, Iso-, 6-Benzylamino-2-(2-hydroxyethylamino)-7-methylpurine, BiomolKI2_000053
| Molecular Formula | C15H18N6O |
|---|---|
| Molecular Weight | 298.15 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.1542 |
| Heavy Atoms | 22 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 101622-50-8 |
|---|---|
| SMILES | CN1C=NC2=C1C(=NC(=N2)NCCO)NCC3=CC=CC=C3 |
| InChIKey | WOQKMUDQRKXVLO-UHFFFAOYSA-N |
Product Overview
Iso-Olomoucine (CAS 101622-50-8), with molecular formula C15H18N6O and molecular weight 298.15 g/mol. IUPAC: 2-[[6-(benzylamino)-7-methylpurin-2-yl]amino]ethanol.
Chemical Property Profile of Iso-Olomoucine
Property Insights of Iso-Olomoucine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Iso-Olomoucine. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Iso-Olomoucine. Following Lipinski's Rule of Five, Iso-Olomoucine 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 Iso-Olomoucine?
The CAS number of Iso-Olomoucine is 101622-50-8.
What is the molecular formula of Iso-Olomoucine?
The molecular formula of Iso-Olomoucine is C15H18N6O.
What is the molecular weight of Iso-Olomoucine?
The molecular weight of Iso-Olomoucine is 298.15 g/mol.
Where can I buy Iso-Olomoucine?
You can request a quote for Iso-Olomoucine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iso-Olomoucine?
Yes, KEHONG BIO provides custom synthesis services for Iso-Olomoucine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.