1-(Azepan-1-yl)-2-(4-iodopyrazol-1-yl)ethanone
TL;DR: 1-(Azepan-1-yl)-2-(4-iodopyrazol-1-yl)ethanone (CAS 957034-66-1) is a chemical compound with molecular formula C11H16IN3O and molecular weight 333.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)-2-(4-iodopyrazol-1-yl)ethanone
Also Known As: 1-[(4-iodo-1H-pyrazol-1-yl)acetyl]azepane, 1-(azepan-1-yl)-2-(4-iodopyrazol-1-yl)ethanone, 1-(azepan-1-yl)-2-(4-iodo-1H-pyrazol-1-yl)ethanone, 1-(Hexahydro-1H-azepin-1-yl)-2-(4-iodo-1H-pyrazol-1-yl)ethanone, 1-azaperhydroepinyl-2-(4-iodopyrazolyl)ethan-1-one
| Molecular Formula | C11H16IN3O |
|---|---|
| Molecular Weight | 333.03 g/mol |
| LogP | 1.8903 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.0338 |
| Heavy Atoms | 16 |
| Complexity | 355.86658 |
Chemical Identifiers
| CAS Number | 957034-66-1 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)CN2C=C(C=N2)I |
Product Overview
1-(Azepan-1-yl)-2-(4-iodopyrazol-1-yl)ethanone (CAS 957034-66-1), with molecular formula C11H16IN3O and molecular weight 333.03 g/mol. IUPAC: 1-(azepan-1-yl)-2-(4-iodopyrazol-1-yl)ethanone.
Chemical Property Profile of 1-(Azepan-1-yl)-2-(4-iodopyrazol-1-yl)ethanone
Property Insights of 1-(Azepan-1-yl)-2-(4-iodopyrazol-1-yl)ethanone
The XLogP value of 1.8903 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Azepan-1-yl)-2-(4-iodopyrazol-1-yl)ethanone. With a topological polar surface area (TPSA) of 38.13 Ų, 1-(Azepan-1-yl)-2-(4-iodopyrazol-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Azepan-1-yl)-2-(4-iodopyrazol-1-yl)ethanone has 0 hydrogen bond donor(s) and 2 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-(Azepan-1-yl)-2-(4-iodopyrazol-1-yl)ethanone?
The CAS number of 1-(Azepan-1-yl)-2-(4-iodopyrazol-1-yl)ethanone is 957034-66-1.
What is the molecular formula of 1-(Azepan-1-yl)-2-(4-iodopyrazol-1-yl)ethanone?
The molecular formula of 1-(Azepan-1-yl)-2-(4-iodopyrazol-1-yl)ethanone is C11H16IN3O.
What is the molecular weight of 1-(Azepan-1-yl)-2-(4-iodopyrazol-1-yl)ethanone?
The molecular weight of 1-(Azepan-1-yl)-2-(4-iodopyrazol-1-yl)ethanone is 333.03 g/mol.
Where can I buy 1-(Azepan-1-yl)-2-(4-iodopyrazol-1-yl)ethanone?
You can request a quote for 1-(Azepan-1-yl)-2-(4-iodopyrazol-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Azepan-1-yl)-2-(4-iodopyrazol-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(Azepan-1-yl)-2-(4-iodopyrazol-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.