RefChem:239536
TL;DR: RefChem:239536 (CAS 98402-33-6) is a chemical compound with molecular formula C17H27ClN6O4 and molecular weight 414.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-hydroxy-3-[2-hydroxyethyl(2,3,4,5-tetrahydropyridin-6-yl)amino]propyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
Also Known As: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-((2-hydroxyethyl)(3,4,5,6-tetrahydro-2-pyridinyl)amino)propyl)-, monohydrochloride, monohydrate, 7-[2-hydroxy-3-[2-hydroxyethyl(2,3,4,5-tetrahydropyridin-6-yl)amino]propyl]-1,3-dimethylpurine-2,6-dione hydrochloride, 7-{2-Hydroxy-3-[(2-hydroxyethyl)(3,4,5,6-tetrahydropyridin-2-yl)amino]propyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1), RefChem:239536
| Molecular Formula | C17H27ClN6O4 |
|---|---|
| Molecular Weight | 414.18 g/mol |
| LogP | -0.9069 |
| Topological Polar Surface Area | 117.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.17822 |
| Heavy Atoms | 28 |
| Complexity | 962.9339 |
Chemical Identifiers
| CAS Number | 98402-33-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(CCO)C3=NCCCC3)O.Cl |
Product Overview
RefChem:239536 (CAS 98402-33-6), with molecular formula C17H27ClN6O4 and molecular weight 414.18 g/mol. IUPAC: 7-[2-hydroxy-3-[2-hydroxyethyl(2,3,4,5-tetrahydropyridin-6-yl)amino]propyl]-1,3-dimethylpurine-2,6-dione;hydrochloride.
Chemical Property Profile of RefChem:239536
Property Insights of RefChem:239536
The XLogP value of -0.9069 indicates that RefChem:239536 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.88 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:239536. Following Lipinski's Rule of Five, RefChem:239536 has 2 hydrogen bond donor(s) and 7 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 RefChem:239536?
The CAS number of RefChem:239536 is 98402-33-6.
What is the molecular formula of RefChem:239536?
The molecular formula of RefChem:239536 is C17H27ClN6O4.
What is the molecular weight of RefChem:239536?
The molecular weight of RefChem:239536 is 414.18 g/mol.
Where can I buy RefChem:239536?
You can request a quote for RefChem:239536 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239536?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239536 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.