![1-Azepanyl[2-(1-azepanyl)-4-methyl-5-pyrimidinyl]methanone structure](/static/products/866/866017-88-1.png)
1-Azepanyl[2-(1-azepanyl)-4-methyl-5-pyrimidinyl]methanone
TL;DR: 1-Azepanyl[2-(1-azepanyl)-4-methyl-5-pyrimidinyl]methanone (CAS 866017-88-1) is a chemical compound with molecular formula C18H28N4O and molecular weight 316.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-[2-(azepan-1-yl)-4-methylpyrimidin-5-yl]methanone
Also Known As: 1-azepanyl[2-(1-azepanyl)-4-methyl-5-pyrimidinyl]methanone, 1-[5-(azepane-1-carbonyl)-4-methylpyrimidin-2-yl]azepane, 4R-1139, azepan-1-yl-[2-(azepan-1-yl)-4-methylpyrimidin-5-yl]methanone, azepan-1-yl-[2-(azepan-1-yl)-4-methyl-pyrimidin-5-yl]methanone
| Molecular Formula | C18H28N4O |
|---|---|
| Molecular Weight | 316.23 g/mol |
| LogP | 3.18162 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.22632 |
| Heavy Atoms | 23 |
| Complexity | 529.8232 |
Chemical Identifiers
| CAS Number | 866017-88-1 |
|---|---|
| SMILES | CC1=NC(=NC=C1C(=O)N2CCCCCC2)N3CCCCCC3 |
Product Overview
1-Azepanyl[2-(1-azepanyl)-4-methyl-5-pyrimidinyl]methanone (CAS 866017-88-1), with molecular formula C18H28N4O and molecular weight 316.23 g/mol. IUPAC: azepan-1-yl-[2-(azepan-1-yl)-4-methylpyrimidin-5-yl]methanone.
Chemical Property Profile of 1-Azepanyl[2-(1-azepanyl)-4-methyl-5-pyrimidinyl]methanone
Property Insights of 1-Azepanyl[2-(1-azepanyl)-4-methyl-5-pyrimidinyl]methanone
The XLogP value of 3.18162 indicates that 1-Azepanyl[2-(1-azepanyl)-4-methyl-5-pyrimidinyl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.33 Ų, 1-Azepanyl[2-(1-azepanyl)-4-methyl-5-pyrimidinyl]methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azepanyl[2-(1-azepanyl)-4-methyl-5-pyrimidinyl]methanone has 0 hydrogen bond donor(s) and 4 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 1-Azepanyl[2-(1-azepanyl)-4-methyl-5-pyrimidinyl]methanone?
The CAS number of 1-Azepanyl[2-(1-azepanyl)-4-methyl-5-pyrimidinyl]methanone is 866017-88-1.
What is the molecular formula of 1-Azepanyl[2-(1-azepanyl)-4-methyl-5-pyrimidinyl]methanone?
The molecular formula of 1-Azepanyl[2-(1-azepanyl)-4-methyl-5-pyrimidinyl]methanone is C18H28N4O.
What is the molecular weight of 1-Azepanyl[2-(1-azepanyl)-4-methyl-5-pyrimidinyl]methanone?
The molecular weight of 1-Azepanyl[2-(1-azepanyl)-4-methyl-5-pyrimidinyl]methanone is 316.23 g/mol.
Where can I buy 1-Azepanyl[2-(1-azepanyl)-4-methyl-5-pyrimidinyl]methanone?
You can request a quote for 1-Azepanyl[2-(1-azepanyl)-4-methyl-5-pyrimidinyl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Azepanyl[2-(1-azepanyl)-4-methyl-5-pyrimidinyl]methanone?
Yes, KEHONG BIO provides custom synthesis services for 1-Azepanyl[2-(1-azepanyl)-4-methyl-5-pyrimidinyl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.