Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 6,7-dihydro-1,3-dimethyl-9-(3-(4-(phenylmethyl)-1-piperidinyl)propyl)-, monohydrochloride
TL;DR: Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 6,7-dihydro-1,3-dimethyl-9-(3-(4-(phenylmethyl)-1-piperidinyl)propyl)-, monohydrochloride (CAS 148712-01-0) is a chemical compound with molecular formula C25H33ClN6O3 and molecular weight 500.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[3-(4-benzylpiperidin-1-yl)propyl]-1,3-dimethyl-6,7-dihydropurino[7,8-a]pyrimidine-2,4,8-trione;hydrochloride
Also Known As: Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 6,7-dihydro-1,3-dimethyl-9-(3-(4-(phenylmethyl)-1-piperidinyl)propyl)-, monohydrochloride, 9-[3-(4-benzylpiperidin-1-yl)propyl]-1,3-dimethyl-6,7-dihydropurino[7,8-a]pyrimidine-2,4,8-trione, 9-[3-(4-benzylpiperidin-1-yl)propyl]-1,3-dimethyl-6,7-dihydropurino[7,8-a]pyrimidine-2,4,8-trione hydrochloride, 9-[3-(4-Benzylpiperidin-1-yl)propyl]-1,3-dimethyl-6,7-dihydropyrimido[2,1-f]purine-2,4,8(1H,3H,9H)-trione--hydrogen chloride (1/1), Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione,6,7-dihydro-1,3-dimethyl-9-(3-(4-(phenylmethyl)-1-piperidinyl)propyl)-,monohydrochloride
| Molecular Formula | C25H33ClN6O3 |
|---|---|
| Molecular Weight | 500.23 g/mol |
| LogP | 1.937 |
| Topological Polar Surface Area | 85.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 500.23026 |
| Heavy Atoms | 35 |
| Complexity | 1320.9512 |
Chemical Identifiers
| CAS Number | 148712-01-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3CCC(=O)N(C3=N2)CCCN4CCC(CC4)CC5=CC=CC=C5.Cl |
Product Overview
Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 6,7-dihydro-1,3-dimethyl-9-(3-(4-(phenylmethyl)-1-piperidinyl)propyl)-, monohydrochloride (CAS 148712-01-0), with molecular formula C25H33ClN6O3 and molecular weight 500.23 g/mol. IUPAC: 9-[3-(4-benzylpiperidin-1-yl)propyl]-1,3-dimethyl-6,7-dihydropurino[7,8-a]pyrimidine-2,4,8-trione;hydrochloride.
Chemical Property Profile of Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 6,7-dihydro-1,3-dimethyl-9-(3-(4-(phenylmethyl)-1-piperidinyl)propyl)-, monohydrochloride
Property Insights of Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 6,7-dihydro-1,3-dimethyl-9-(3-(4-(phenylmethyl)-1-piperidinyl)propyl)-, monohydrochloride
The XLogP value of 1.937 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 6,7-dihydro-1,3-dimethyl-9-(3-(4-(phenylmethyl)-1-piperidinyl)propyl)-, monohydrochloride. The TPSA of 85.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 6,7-dihydro-1,3-dimethyl-9-(3-(4-(phenylmethyl)-1-piperidinyl)propyl)-, monohydrochloride. Following Lipinski's Rule of Five, Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 6,7-dihydro-1,3-dimethyl-9-(3-(4-(phenylmethyl)-1-piperidinyl)propyl)-, monohydrochloride has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 6,7-dihydro-1,3-dimethyl-9-(3-(4-(phenylmethyl)-1-piperidinyl)propyl)-, monohydrochloride?
The CAS number of Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 6,7-dihydro-1,3-dimethyl-9-(3-(4-(phenylmethyl)-1-piperidinyl)propyl)-, monohydrochloride is 148712-01-0.
What is the molecular formula of Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 6,7-dihydro-1,3-dimethyl-9-(3-(4-(phenylmethyl)-1-piperidinyl)propyl)-, monohydrochloride?
The molecular formula of Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 6,7-dihydro-1,3-dimethyl-9-(3-(4-(phenylmethyl)-1-piperidinyl)propyl)-, monohydrochloride is C25H33ClN6O3.
What is the molecular weight of Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 6,7-dihydro-1,3-dimethyl-9-(3-(4-(phenylmethyl)-1-piperidinyl)propyl)-, monohydrochloride?
The molecular weight of Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 6,7-dihydro-1,3-dimethyl-9-(3-(4-(phenylmethyl)-1-piperidinyl)propyl)-, monohydrochloride is 500.23 g/mol.
Where can I buy Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 6,7-dihydro-1,3-dimethyl-9-(3-(4-(phenylmethyl)-1-piperidinyl)propyl)-, monohydrochloride?
You can request a quote for Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 6,7-dihydro-1,3-dimethyl-9-(3-(4-(phenylmethyl)-1-piperidinyl)propyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 6,7-dihydro-1,3-dimethyl-9-(3-(4-(phenylmethyl)-1-piperidinyl)propyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 6,7-dihydro-1,3-dimethyl-9-(3-(4-(phenylmethyl)-1-piperidinyl)propyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.