RefChem:313587
TL;DR: RefChem:313587 (CAS 43121-73-9) is a chemical compound with molecular formula C25H30Cl2N6O2 and molecular weight 516.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[6-(4-benzhydrylpiperazin-1-yl)purin-9-yl]propane-1,2-diol;dihydrochloride
Also Known As: 9H-Purine, 6-(4-benzhydryl-1-piperazinyl)-9-(2,3-dihydroxypropyl)-, dihydrochloride, (Benzhydryl-4 piperazinyl-1)-6 (dihydroxy-2,3 propyl)-9 purine dichlorhydrate [French], 3-{6-[4-(diphenylmethyl)piperazin-1-yl]-9h-purin-9-yl}propane-1,2-diol dihydrochloride, 9-(2,3-Dihydroxypropyl)-6-(4-diphenylmethyl-1-piperazinyl)-9H-purine dihydrochloride, (Benzhydryl-4 piperazinyl-1)-6 (dihydroxy-2,3 propyl)-9 purine dichlorhydrate
| Molecular Formula | C25H30Cl2N6O2 |
|---|---|
| Molecular Weight | 516.18 g/mol |
| LogP | 2.9347 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 516.1807 |
| Heavy Atoms | 35 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 43121-73-9 |
|---|---|
| SMILES | C1CN(CCN1C2=NC=NC3=C2N=CN3CC(CO)O)C(C4=CC=CC=C4)C5=CC=CC=C5.Cl.Cl |
| InChIKey | DVRJVYXRLRCZIS-UHFFFAOYSA-N |
Product Overview
RefChem:313587 (CAS 43121-73-9), with molecular formula C25H30Cl2N6O2 and molecular weight 516.18 g/mol. IUPAC: 3-[6-(4-benzhydrylpiperazin-1-yl)purin-9-yl]propane-1,2-diol;dihydrochloride.
Chemical Property Profile of RefChem:313587
Property Insights of RefChem:313587
The XLogP value of 2.9347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:313587. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:313587. Following Lipinski's Rule of Five, RefChem:313587 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:313587?
The CAS number of RefChem:313587 is 43121-73-9.
What is the molecular formula of RefChem:313587?
The molecular formula of RefChem:313587 is C25H30Cl2N6O2.
What is the molecular weight of RefChem:313587?
The molecular weight of RefChem:313587 is 516.18 g/mol.
Where can I buy RefChem:313587?
You can request a quote for RefChem:313587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:313587?
Yes, KEHONG BIO provides custom synthesis services for RefChem:313587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.