RefChem:239647
TL;DR: RefChem:239647 (CAS 110480-53-0) is a chemical compound with molecular formula C28H34N6O3 and molecular weight 502.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(4-benzhydrylpiperazin-1-yl)-1-hydroxyethyl]-3-(2-methylpropyl)-7H-purine-2,6-dione
Also Known As: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(diphenylmethyl)-1-piperazinyl)-1-hydroxyethyl)-3-(2-methylpropyl)-, 8-[2-(4-benzhydrylpiperazin-1-yl)-1-hydroxyethyl]-3-(2-methylpropyl)-7H-purine-2,6-dione, 8-{2-[4-(Diphenylmethyl)piperazin-1-yl]-1-hydroxyethyl}-6-hydroxy-3-(2-methylpropyl)-3,9-dihydro-2H-purin-2-one, BRN 5683332, RefChem:239647
| Molecular Formula | C28H34N6O3 |
|---|---|
| Molecular Weight | 502.27 g/mol |
| LogP | 2.5095 |
| Topological Polar Surface Area | 110.25 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 502.26923 |
| Heavy Atoms | 37 |
| Complexity | 1396.3065 |
Chemical Identifiers
| CAS Number | 110480-53-0 |
|---|---|
| SMILES | CC(C)CN1C2=C(C(=O)NC1=O)NC(=N2)C(CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O |
Product Overview
RefChem:239647 (CAS 110480-53-0), with molecular formula C28H34N6O3 and molecular weight 502.27 g/mol. IUPAC: 8-[2-(4-benzhydrylpiperazin-1-yl)-1-hydroxyethyl]-3-(2-methylpropyl)-7H-purine-2,6-dione.
Chemical Property Profile of RefChem:239647
Property Insights of RefChem:239647
The XLogP value of 2.5095 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:239647. The TPSA of 110.25 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:239647. Following Lipinski's Rule of Five, RefChem:239647 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:239647?
The CAS number of RefChem:239647 is 110480-53-0.
What is the molecular formula of RefChem:239647?
The molecular formula of RefChem:239647 is C28H34N6O3.
What is the molecular weight of RefChem:239647?
The molecular weight of RefChem:239647 is 502.27 g/mol.
Where can I buy RefChem:239647?
You can request a quote for RefChem:239647 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239647?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239647 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.