RefChem:313599
TL;DR: RefChem:313599 (CAS 42762-86-7) is a chemical compound with molecular formula C20H26Cl2N6O4 and molecular weight 484.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purin-9-yl]propane-1,2-diol;dihydrochloride
Also Known As: 9h-purine,9-6-,dihydrochloride, 9H-Purine,9- -6- -,dihydrochloride, 9-(2,3-Dihydroxypropyl)-6-(4-piperonyl-1-piperazinyl)-9H-purine dihydrochloride, (Piperonyl-4 piperazinyl-1)-6 (dihydroxy-2,3 propyl)-9 purine dichlorhydrate [French], 9H-Purine, 9-(2,3-dihydroxypropyl)-6-(4-piperonyl-1-piperazinyl)-, dihydrochloride
| Molecular Formula | C20H26Cl2N6O4 |
|---|---|
| Molecular Weight | 484.14 g/mol |
| LogP | 1.074 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 484.13925 |
| Heavy Atoms | 32 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 42762-86-7 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4N=CN5CC(CO)O.Cl.Cl |
| InChIKey | FVKYDHHVLMOVIB-UHFFFAOYSA-N |
Product Overview
RefChem:313599 (CAS 42762-86-7), with molecular formula C20H26Cl2N6O4 and molecular weight 484.14 g/mol. IUPAC: 3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purin-9-yl]propane-1,2-diol;dihydrochloride.
Chemical Property Profile of RefChem:313599
Property Insights of RefChem:313599
The XLogP value of 1.074 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:313599. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:313599. Following Lipinski's Rule of Five, RefChem:313599 has 4 hydrogen bond donor(s) and 9 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:313599?
The CAS number of RefChem:313599 is 42762-86-7.
What is the molecular formula of RefChem:313599?
The molecular formula of RefChem:313599 is C20H26Cl2N6O4.
What is the molecular weight of RefChem:313599?
The molecular weight of RefChem:313599 is 484.14 g/mol.
Where can I buy RefChem:313599?
You can request a quote for RefChem:313599 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:313599?
Yes, KEHONG BIO provides custom synthesis services for RefChem:313599 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.