RefChem:239543
TL;DR: RefChem:239543 (CAS 78721-08-1) is a chemical compound with molecular formula C25H31ClN6O3 and molecular weight 498.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(benzylamino)-7-[3-[benzyl(methyl)amino]-2-hydroxypropyl]-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-(methyl(phenylmethyl)amino)propyl)-8-((phenylmethyl)amino)-, monohydrochloride, 8-(benzylamino)-7-[3-[benzyl(methyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione hydrochloride, 8-(Benzylimino)-7-{3-[benzyl(methyl)amino]-2-hydroxypropyl}-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione--hydrogen chloride (1/1), RefChem:239543
| Molecular Formula | C25H31ClN6O3 |
|---|---|
| Molecular Weight | 498.21 g/mol |
| LogP | 1.9605 |
| Topological Polar Surface Area | 97.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 498.21463 |
| Heavy Atoms | 35 |
| Complexity | 1381.8422 |
Chemical Identifiers
| CAS Number | 78721-08-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CC(CN(C)CC4=CC=CC=C4)O.Cl |
Product Overview
RefChem:239543 (CAS 78721-08-1), with molecular formula C25H31ClN6O3 and molecular weight 498.21 g/mol. IUPAC: 8-(benzylamino)-7-[3-[benzyl(methyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;hydrochloride.
Chemical Property Profile of RefChem:239543
Property Insights of RefChem:239543
The XLogP value of 1.9605 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:239543. The TPSA of 97.32 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:239543. Following Lipinski's Rule of Five, RefChem:239543 has 2 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 RefChem:239543?
The CAS number of RefChem:239543 is 78721-08-1.
What is the molecular formula of RefChem:239543?
The molecular formula of RefChem:239543 is C25H31ClN6O3.
What is the molecular weight of RefChem:239543?
The molecular weight of RefChem:239543 is 498.21 g/mol.
Where can I buy RefChem:239543?
You can request a quote for RefChem:239543 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239543?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239543 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.