RefChem:239555
TL;DR: RefChem:239555 (CAS 79712-52-0) is a chemical compound with molecular formula C23H34Cl2N6O2S and molecular weight 528.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-[3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]propyl]purine-2,6-dione;dihydrochloride
Also Known As: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(3-(4-(3-(phenylthio)propyl)-1-piperazinyl)propyl)-, dihydrochloride, 1,3-Dimethyl-7-(3-{4-[3-(phenylsulfanyl)propyl]piperazin-1-yl}propyl)-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/2), 1,3-dimethyl-7-[3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]propyl]purine-2,6-dione dihydrochloride, RefChem:239555
| Molecular Formula | C23H34Cl2N6O2S |
|---|---|
| Molecular Weight | 528.18 g/mol |
| LogP | 2.4674 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 528.1841 |
| Heavy Atoms | 34 |
| Complexity | 1155.9622 |
Chemical Identifiers
| CAS Number | 79712-52-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCN(CC3)CCCSC4=CC=CC=C4.Cl.Cl |
Product Overview
RefChem:239555 (CAS 79712-52-0), with molecular formula C23H34Cl2N6O2S and molecular weight 528.18 g/mol. IUPAC: 1,3-dimethyl-7-[3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]propyl]purine-2,6-dione;dihydrochloride.
Chemical Property Profile of RefChem:239555
Property Insights of RefChem:239555
The XLogP value of 2.4674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:239555. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:239555. Following Lipinski's Rule of Five, RefChem:239555 has 0 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:239555?
The CAS number of RefChem:239555 is 79712-52-0.
What is the molecular formula of RefChem:239555?
The molecular formula of RefChem:239555 is C23H34Cl2N6O2S.
What is the molecular weight of RefChem:239555?
The molecular weight of RefChem:239555 is 528.18 g/mol.
Where can I buy RefChem:239555?
You can request a quote for RefChem:239555 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239555?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239555 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.