RefChem:239537
TL;DR: RefChem:239537 (CAS 78721-06-9) is a chemical compound with molecular formula C20H29ClN6O4 and molecular weight 452.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(benzylamino)-7-[2-hydroxy-3-[2-hydroxyethyl(methyl)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)methylamino)propyl)-8-((phenylmethyl)amino)-, monohydrochloride, 8-(benzylamino)-7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione hydrochloride, 8-(benzylamino)-7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione,hydrochloride, 8-(Benzylimino)-7-{2-hydroxy-3-[(2-hydroxyethyl)(methyl)amino]propyl}-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione--hydrogen chloride (1/1), RefChem:239537
| Molecular Formula | C20H29ClN6O4 |
|---|---|
| Molecular Weight | 452.19 g/mol |
| LogP | -0.2474 |
| Topological Polar Surface Area | 117.55 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 452.19388 |
| Heavy Atoms | 31 |
| Complexity | 1124.631 |
Chemical Identifiers
| CAS Number | 78721-06-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CC(CN(C)CCO)O.Cl |
Product Overview
RefChem:239537 (CAS 78721-06-9), with molecular formula C20H29ClN6O4 and molecular weight 452.19 g/mol. IUPAC: 8-(benzylamino)-7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione;hydrochloride.
Chemical Property Profile of RefChem:239537
Property Insights of RefChem:239537
The XLogP value of -0.2474 indicates that RefChem:239537 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.55 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:239537. Following Lipinski's Rule of Five, RefChem:239537 has 3 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:239537?
The CAS number of RefChem:239537 is 78721-06-9.
What is the molecular formula of RefChem:239537?
The molecular formula of RefChem:239537 is C20H29ClN6O4.
What is the molecular weight of RefChem:239537?
The molecular weight of RefChem:239537 is 452.19 g/mol.
Where can I buy RefChem:239537?
You can request a quote for RefChem:239537 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239537?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239537 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.