C20H24N6O4.2ClH.1/2H2O
TL;DR: C20H24N6O4.2ClH.1/2H2O (CAS 69440-61-5) is a chemical compound with molecular formula C40H54Cl4N12O9 and molecular weight 986.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purin-9-yl]propane-1,2-diol);hydrate;tetrahydrochloride
Also Known As: C20H24N6O4.2ClH.1/2H2O, 9-(2,3-Dihydroxypropyl)-2-(4-piperonyl-1-piperazinyl)-9H-purine dihydrochloride, C20-H24-N6-O4.2Cl-H.1/2H2-O, 9H-Purine, 9-(2,3-dihydroxypropyl)-2-(4-piperonyl-1-piperazinyl)-, dihydrochloride, hemihydrate, 1,2-Propanediol, 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-9H-purine-9-yl]-, dihydrochloride, hemihydrate
| Molecular Formula | C40H54Cl4N12O9 |
|---|---|
| Molecular Weight | 986.29 g/mol |
| LogP | 1.3233 |
| Topological Polar Surface Area | 249.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 12 |
| Exact Mass | 986.28906 |
| Heavy Atoms | 65 |
| Complexity | 2256.6284 |
Chemical Identifiers
| CAS Number | 69440-61-5 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=C5C(=N4)N(C=N5)CC(CO)O.C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=C5C(=N4)N(C=N5)CC(CO)O.O.Cl.Cl.Cl.Cl |
Product Overview
C20H24N6O4.2ClH.1/2H2O (CAS 69440-61-5), with molecular formula C40H54Cl4N12O9 and molecular weight 986.29 g/mol. IUPAC: bis(3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purin-9-yl]propane-1,2-diol);hydrate;tetrahydrochloride.
Chemical Property Profile of C20H24N6O4.2ClH.1/2H2O
Property Insights of C20H24N6O4.2ClH.1/2H2O
The XLogP value of 1.3233 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C20H24N6O4.2ClH.1/2H2O. The TPSA of 249.5 Ų indicates high polarity, suggesting C20H24N6O4.2ClH.1/2H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C20H24N6O4.2ClH.1/2H2O has 4 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C20H24N6O4.2ClH.1/2H2O?
The CAS number of C20H24N6O4.2ClH.1/2H2O is 69440-61-5.
What is the molecular formula of C20H24N6O4.2ClH.1/2H2O?
The molecular formula of C20H24N6O4.2ClH.1/2H2O is C40H54Cl4N12O9.
What is the molecular weight of C20H24N6O4.2ClH.1/2H2O?
The molecular weight of C20H24N6O4.2ClH.1/2H2O is 986.29 g/mol.
Where can I buy C20H24N6O4.2ClH.1/2H2O?
You can request a quote for C20H24N6O4.2ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H24N6O4.2ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C20H24N6O4.2ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.