![3-Bromo-1-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]propan-1-one structure](/static/products/6464/646455-86-9.webp)
3-Bromo-1-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]propan-1-one
TL;DR: 3-Bromo-1-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]propan-1-one (CAS 646455-86-9) is a chemical compound with molecular formula C13H17BrN4O3 and molecular weight 356.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-1-[4-(5-nitro-2-pyridinyl)-1,4-diazepan-1-yl]propan-1-one
Also Known As: 3-bromo-1-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]propan-1-one
| Molecular Formula | C13H17BrN4O3 |
|---|---|
| Molecular Weight | 356.05 g/mol |
| LogP | 1.8135 |
| Topological Polar Surface Area | 79.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.0484 |
| Heavy Atoms | 21 |
| Complexity | 508.64276 |
Chemical Identifiers
| CAS Number | 646455-86-9 |
|---|---|
| SMILES | C1CN(CCN(C1)C(=O)CCBr)C2=NC=C(C=C2)[N+](=O)[O-] |
Product Overview
3-Bromo-1-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]propan-1-one (CAS 646455-86-9), with molecular formula C13H17BrN4O3 and molecular weight 356.05 g/mol. IUPAC: 3-bromo-1-[4-(5-nitro-2-pyridinyl)-1,4-diazepan-1-yl]propan-1-one.
Chemical Property Profile of 3-Bromo-1-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]propan-1-one
Property Insights of 3-Bromo-1-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]propan-1-one
The XLogP value of 1.8135 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-1-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]propan-1-one. The TPSA of 79.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-1-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]propan-1-one. Following Lipinski's Rule of Five, 3-Bromo-1-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]propan-1-one has 0 hydrogen bond donor(s) and 5 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 3-Bromo-1-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]propan-1-one?
The CAS number of 3-Bromo-1-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]propan-1-one is 646455-86-9.
What is the molecular formula of 3-Bromo-1-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]propan-1-one?
The molecular formula of 3-Bromo-1-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]propan-1-one is C13H17BrN4O3.
What is the molecular weight of 3-Bromo-1-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]propan-1-one?
The molecular weight of 3-Bromo-1-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]propan-1-one is 356.05 g/mol.
Where can I buy 3-Bromo-1-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]propan-1-one?
You can request a quote for 3-Bromo-1-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-1-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-1-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.