Pyrimidine, 4,5-dimethyl-2-(4-piperonyl-1-piperazinyl)-, monohydrochloride
TL;DR: Pyrimidine, 4,5-dimethyl-2-(4-piperonyl-1-piperazinyl)-, monohydrochloride (CAS 3601-78-3) is a chemical compound with molecular formula C18H23ClN4O2 and molecular weight 362.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4,5-dimethylpyrimidine;hydrochloride
Also Known As: 4,5-Dimethyl-2-(4-piperonyl-1-piperazinyl)pyrimidine hydrochloride, Pyrimidine, 4,5-dimethyl-2-(4-piperonyl-1-piperazinyl)-, monohydrochloride, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4,5-dimethy, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4,5-dimethylpyrimidine hydrochloride, 2-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-4,5-dimethylpyrimidine--hydrogen chloride (1/1)
| Molecular Formula | C18H23ClN4O2 |
|---|---|
| Molecular Weight | 362.15 g/mol |
| LogP | 2.56614 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.15094 |
| Heavy Atoms | 25 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 3601-78-3 |
|---|---|
| SMILES | CC1=CN=C(N=C1C)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4.Cl |
| InChIKey | BLBFMNWQUCPOBJ-UHFFFAOYSA-N |
Product Overview
Pyrimidine, 4,5-dimethyl-2-(4-piperonyl-1-piperazinyl)-, monohydrochloride (CAS 3601-78-3), with molecular formula C18H23ClN4O2 and molecular weight 362.15 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4,5-dimethylpyrimidine;hydrochloride.
Chemical Property Profile of Pyrimidine, 4,5-dimethyl-2-(4-piperonyl-1-piperazinyl)-, monohydrochloride
Property Insights of Pyrimidine, 4,5-dimethyl-2-(4-piperonyl-1-piperazinyl)-, monohydrochloride
The XLogP value of 2.56614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine, 4,5-dimethyl-2-(4-piperonyl-1-piperazinyl)-, monohydrochloride. With a topological polar surface area (TPSA) of 50.7 Ų, Pyrimidine, 4,5-dimethyl-2-(4-piperonyl-1-piperazinyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrimidine, 4,5-dimethyl-2-(4-piperonyl-1-piperazinyl)-, monohydrochloride has 1 hydrogen bond donor(s) and 6 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 Pyrimidine, 4,5-dimethyl-2-(4-piperonyl-1-piperazinyl)-, monohydrochloride?
The CAS number of Pyrimidine, 4,5-dimethyl-2-(4-piperonyl-1-piperazinyl)-, monohydrochloride is 3601-78-3.
What is the molecular formula of Pyrimidine, 4,5-dimethyl-2-(4-piperonyl-1-piperazinyl)-, monohydrochloride?
The molecular formula of Pyrimidine, 4,5-dimethyl-2-(4-piperonyl-1-piperazinyl)-, monohydrochloride is C18H23ClN4O2.
What is the molecular weight of Pyrimidine, 4,5-dimethyl-2-(4-piperonyl-1-piperazinyl)-, monohydrochloride?
The molecular weight of Pyrimidine, 4,5-dimethyl-2-(4-piperonyl-1-piperazinyl)-, monohydrochloride is 362.15 g/mol.
Where can I buy Pyrimidine, 4,5-dimethyl-2-(4-piperonyl-1-piperazinyl)-, monohydrochloride?
You can request a quote for Pyrimidine, 4,5-dimethyl-2-(4-piperonyl-1-piperazinyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine, 4,5-dimethyl-2-(4-piperonyl-1-piperazinyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 4,5-dimethyl-2-(4-piperonyl-1-piperazinyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.