Pyrimidine, 2-(hexahydro-4-piperonyl-1H-1,4-diazepin-1-yl)-
TL;DR: Pyrimidine, 2-(hexahydro-4-piperonyl-1H-1,4-diazepin-1-yl)- (CAS 2435-60-1) is a chemical compound with molecular formula C17H20N4O2 and molecular weight 312.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-ylmethyl)-4-pyrimidin-2-yl-1,4-diazepane
Also Known As: 2- pyrimidine, 4-benzoyl biphenyl, Pyrimidine, 2-(hexahydro-4-piperonyl-1H-1,4-diazepin-1-yl)-, 2-(Hexahydro-4-piperonyl-1H-1,4-diazepin-1-yl)pyrimidine, 1-(1,3-benzodioxol-5-ylmethyl)-4-(pyrimidin-2-yl)-1,4-diazepane
| Molecular Formula | C17H20N4O2 |
|---|---|
| Molecular Weight | 312.16 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.15863 |
| Heavy Atoms | 23 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 2435-60-1 |
|---|---|
| SMILES | C1CN(CCN(C1)C2=NC=CC=N2)CC3=CC4=C(C=C3)OCO4 |
| InChIKey | WXCHHZUXZLMYTR-UHFFFAOYSA-N |
Product Overview
Pyrimidine, 2-(hexahydro-4-piperonyl-1H-1,4-diazepin-1-yl)- (CAS 2435-60-1), with molecular formula C17H20N4O2 and molecular weight 312.16 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-4-pyrimidin-2-yl-1,4-diazepane.
Chemical Property Profile of Pyrimidine, 2-(hexahydro-4-piperonyl-1H-1,4-diazepin-1-yl)-
Property Insights of Pyrimidine, 2-(hexahydro-4-piperonyl-1H-1,4-diazepin-1-yl)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine, 2-(hexahydro-4-piperonyl-1H-1,4-diazepin-1-yl)-. With a topological polar surface area (TPSA) of 50.7 Ų, Pyrimidine, 2-(hexahydro-4-piperonyl-1H-1,4-diazepin-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrimidine, 2-(hexahydro-4-piperonyl-1H-1,4-diazepin-1-yl)- has 0 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, 2-(hexahydro-4-piperonyl-1H-1,4-diazepin-1-yl)-?
The CAS number of Pyrimidine, 2-(hexahydro-4-piperonyl-1H-1,4-diazepin-1-yl)- is 2435-60-1.
What is the molecular formula of Pyrimidine, 2-(hexahydro-4-piperonyl-1H-1,4-diazepin-1-yl)-?
The molecular formula of Pyrimidine, 2-(hexahydro-4-piperonyl-1H-1,4-diazepin-1-yl)- is C17H20N4O2.
What is the molecular weight of Pyrimidine, 2-(hexahydro-4-piperonyl-1H-1,4-diazepin-1-yl)-?
The molecular weight of Pyrimidine, 2-(hexahydro-4-piperonyl-1H-1,4-diazepin-1-yl)- is 312.16 g/mol.
Where can I buy Pyrimidine, 2-(hexahydro-4-piperonyl-1H-1,4-diazepin-1-yl)-?
You can request a quote for Pyrimidine, 2-(hexahydro-4-piperonyl-1H-1,4-diazepin-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine, 2-(hexahydro-4-piperonyl-1H-1,4-diazepin-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 2-(hexahydro-4-piperonyl-1H-1,4-diazepin-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.