1-(Bromoacetyl)azepane
TL;DR: 1-(Bromoacetyl)azepane (CAS 75726-94-2) is a chemical compound with molecular formula C8H14BrNO and molecular weight 219.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)-2-bromoethanone
Also Known As: 1-(Bromoacetyl)azepane, 1-(azepan-1-yl)-2-bromoethanone, 1-(Bromoacetyl)azepane #, 1-(azepan-1-yl)-2-bromoethan-1-one, 1-Azepan-1-yl-2-bromethanone
| Molecular Formula | C8H14BrNO |
|---|---|
| Molecular Weight | 219.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.02588 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 75726-94-2 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)CBr |
| InChIKey | UFXLCSLXNMZTLE-UHFFFAOYSA-N |
Product Overview
1-(Bromoacetyl)azepane (CAS 75726-94-2), with molecular formula C8H14BrNO and molecular weight 219.03 g/mol. IUPAC: 1-(azepan-1-yl)-2-bromoethanone.
Chemical Property Profile of 1-(Bromoacetyl)azepane
Property Insights of 1-(Bromoacetyl)azepane
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Bromoacetyl)azepane. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(Bromoacetyl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Bromoacetyl)azepane has 0 hydrogen bond donor(s) and 1 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-(Bromoacetyl)azepane?
The CAS number of 1-(Bromoacetyl)azepane is 75726-94-2.
What is the molecular formula of 1-(Bromoacetyl)azepane?
The molecular formula of 1-(Bromoacetyl)azepane is C8H14BrNO.
What is the molecular weight of 1-(Bromoacetyl)azepane?
The molecular weight of 1-(Bromoacetyl)azepane is 219.03 g/mol.
Where can I buy 1-(Bromoacetyl)azepane?
You can request a quote for 1-(Bromoacetyl)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Bromoacetyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(Bromoacetyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.