1-(5-Bromopyrimidin-2-yl)(1,4)diazepane
TL;DR: 1-(5-Bromopyrimidin-2-yl)(1,4)diazepane (CAS 849021-44-9) is a chemical compound with molecular formula C9H13BrN4 and molecular weight 256.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-bromopyrimidin-2-yl)-1,4-diazepane
Also Known As: 1-(5-bromopyrimidin-2-yl)-1,4-diazepane, 1-(5-Bromopyrimidin-2-yl)[1,4]diazepane, 1-methylpiperidin-4-amine, 1- [1,4]DIAZEPANE, 1-(5-Bromopyrimidin-2-yl)homopiperazine
| Molecular Formula | C9H13BrN4 |
|---|---|
| Molecular Weight | 256.03 g/mol |
| LogP | 1.0388 |
| Topological Polar Surface Area | 41.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.03235 |
| Heavy Atoms | 14 |
| Complexity | 279.36835 |
Chemical Identifiers
| CAS Number | 849021-44-9 |
|---|---|
| SMILES | C1CNCCN(C1)C2=NC=C(C=N2)Br |
Product Overview
1-(5-Bromopyrimidin-2-yl)(1,4)diazepane (CAS 849021-44-9), with molecular formula C9H13BrN4 and molecular weight 256.03 g/mol. IUPAC: 1-(5-bromopyrimidin-2-yl)-1,4-diazepane.
Chemical Property Profile of 1-(5-Bromopyrimidin-2-yl)(1,4)diazepane
Property Insights of 1-(5-Bromopyrimidin-2-yl)(1,4)diazepane
The XLogP value of 1.0388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Bromopyrimidin-2-yl)(1,4)diazepane. With a topological polar surface area (TPSA) of 41.05 Ų, 1-(5-Bromopyrimidin-2-yl)(1,4)diazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Bromopyrimidin-2-yl)(1,4)diazepane has 1 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-(5-Bromopyrimidin-2-yl)(1,4)diazepane?
The CAS number of 1-(5-Bromopyrimidin-2-yl)(1,4)diazepane is 849021-44-9.
What is the molecular formula of 1-(5-Bromopyrimidin-2-yl)(1,4)diazepane?
The molecular formula of 1-(5-Bromopyrimidin-2-yl)(1,4)diazepane is C9H13BrN4.
What is the molecular weight of 1-(5-Bromopyrimidin-2-yl)(1,4)diazepane?
The molecular weight of 1-(5-Bromopyrimidin-2-yl)(1,4)diazepane is 256.03 g/mol.
Where can I buy 1-(5-Bromopyrimidin-2-yl)(1,4)diazepane?
You can request a quote for 1-(5-Bromopyrimidin-2-yl)(1,4)diazepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Bromopyrimidin-2-yl)(1,4)diazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Bromopyrimidin-2-yl)(1,4)diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.