1H-1,4-Diazepine-1-ethanol, hexahydro-4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-alpha-((2-naphthalenyloxy)methyl)-
TL;DR: 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-alpha-((2-naphthalenyloxy)methyl)- (CAS 159872-58-9) is a chemical compound with molecular formula C30H40N6O2 and molecular weight 516.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-3-naphthalen-2-yloxypropan-2-ol
Also Known As: 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-alpha-((2-naphthalenyloxy)methyl)-, 1-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-3-naphthalen-2-yloxy-propan-2-ol, 1-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-3-naphthalen-2-yloxypropan-2-ol, 1-{4-[2,6-Di(pyrrolidin-1-yl)pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-[(naphthalen-2-yl)oxy]propan-2-ol, RefChem:237157
| Molecular Formula | C30H40N6O2 |
|---|---|
| Molecular Weight | 516.32 g/mol |
| LogP | 3.7822 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 516.3213 |
| Heavy Atoms | 38 |
| Complexity | 1176.0723 |
Chemical Identifiers
| CAS Number | 159872-58-9 |
|---|---|
| SMILES | C1CCN(C1)C2=CC(=NC(=N2)N3CCCC3)N4CCCN(CC4)CC(COC5=CC6=CC=CC=C6C=C5)O |
Product Overview
1H-1,4-Diazepine-1-ethanol, hexahydro-4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-alpha-((2-naphthalenyloxy)methyl)- (CAS 159872-58-9), with molecular formula C30H40N6O2 and molecular weight 516.32 g/mol. IUPAC: 1-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-3-naphthalen-2-yloxypropan-2-ol.
Chemical Property Profile of 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-alpha-((2-naphthalenyloxy)methyl)-
Property Insights of 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-alpha-((2-naphthalenyloxy)methyl)-
The XLogP value of 3.7822 indicates that 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-alpha-((2-naphthalenyloxy)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-alpha-((2-naphthalenyloxy)methyl)-. Following Lipinski's Rule of Five, 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-alpha-((2-naphthalenyloxy)methyl)- has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-alpha-((2-naphthalenyloxy)methyl)-?
The CAS number of 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-alpha-((2-naphthalenyloxy)methyl)- is 159872-58-9.
What is the molecular formula of 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-alpha-((2-naphthalenyloxy)methyl)-?
The molecular formula of 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-alpha-((2-naphthalenyloxy)methyl)- is C30H40N6O2.
What is the molecular weight of 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-alpha-((2-naphthalenyloxy)methyl)-?
The molecular weight of 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-alpha-((2-naphthalenyloxy)methyl)- is 516.32 g/mol.
Where can I buy 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-alpha-((2-naphthalenyloxy)methyl)-?
You can request a quote for 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-alpha-((2-naphthalenyloxy)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-alpha-((2-naphthalenyloxy)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-alpha-((2-naphthalenyloxy)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.