9H-Purine, 9-allyl-2-(4-benzhydryl-1-piperazinyl)-, dihydrochloride
TL;DR: 9H-Purine, 9-allyl-2-(4-benzhydryl-1-piperazinyl)-, dihydrochloride (CAS 29241-60-9) is a chemical compound with molecular formula C25H28Cl2N6 and molecular weight 482.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzhydrylpiperazin-1-yl)-9-prop-2-enylpurine;dihydrochloride
Also Known As: 9H-Purine, 9-allyl-2-(4-benzhydryl-1-piperazinyl)-, dihydrochloride, (Benzhydryl-4 piperazinyl-1)-2 allyl-9 purine dichlorhydrate [French], 9-Allyl-2-(4-diphenylmethyl-1-piperazinyl)-9H-purine dihydrochloride, (Benzhydryl-4 piperazinyl-1)-2 allyl-9 purine dichlorhydrate, 2-[4-(diphenylmethyl)piperazin-1-yl]-9-(prop-2-en-1-yl)-9h-purine dihydrochloride
| Molecular Formula | C25H28Cl2N6 |
|---|---|
| Molecular Weight | 482.18 g/mol |
| LogP | 4.7675 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 482.17526 |
| Heavy Atoms | 33 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 29241-60-9 |
|---|---|
| SMILES | C=CCN1C=NC2=CN=C(N=C21)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5.Cl.Cl |
| InChIKey | AWNKVTNITVGVQP-UHFFFAOYSA-N |
Product Overview
9H-Purine, 9-allyl-2-(4-benzhydryl-1-piperazinyl)-, dihydrochloride (CAS 29241-60-9), with molecular formula C25H28Cl2N6 and molecular weight 482.18 g/mol. IUPAC: 2-(4-benzhydrylpiperazin-1-yl)-9-prop-2-enylpurine;dihydrochloride.
Chemical Property Profile of 9H-Purine, 9-allyl-2-(4-benzhydryl-1-piperazinyl)-, dihydrochloride
Property Insights of 9H-Purine, 9-allyl-2-(4-benzhydryl-1-piperazinyl)-, dihydrochloride
The XLogP value of 4.7675 indicates that 9H-Purine, 9-allyl-2-(4-benzhydryl-1-piperazinyl)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, 9H-Purine, 9-allyl-2-(4-benzhydryl-1-piperazinyl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-Purine, 9-allyl-2-(4-benzhydryl-1-piperazinyl)-, dihydrochloride has 2 hydrogen bond donor(s) and 5 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 9H-Purine, 9-allyl-2-(4-benzhydryl-1-piperazinyl)-, dihydrochloride?
The CAS number of 9H-Purine, 9-allyl-2-(4-benzhydryl-1-piperazinyl)-, dihydrochloride is 29241-60-9.
What is the molecular formula of 9H-Purine, 9-allyl-2-(4-benzhydryl-1-piperazinyl)-, dihydrochloride?
The molecular formula of 9H-Purine, 9-allyl-2-(4-benzhydryl-1-piperazinyl)-, dihydrochloride is C25H28Cl2N6.
What is the molecular weight of 9H-Purine, 9-allyl-2-(4-benzhydryl-1-piperazinyl)-, dihydrochloride?
The molecular weight of 9H-Purine, 9-allyl-2-(4-benzhydryl-1-piperazinyl)-, dihydrochloride is 482.18 g/mol.
Where can I buy 9H-Purine, 9-allyl-2-(4-benzhydryl-1-piperazinyl)-, dihydrochloride?
You can request a quote for 9H-Purine, 9-allyl-2-(4-benzhydryl-1-piperazinyl)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Purine, 9-allyl-2-(4-benzhydryl-1-piperazinyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purine, 9-allyl-2-(4-benzhydryl-1-piperazinyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.