![1-(1-Azepanyl)-2-{4-[4-(2-thienyl)-2-pyrimidinyl]phenoxy}-1-ethanone structure](/static/products/4778/477889-43-3.webp)
1-(1-Azepanyl)-2-{4-[4-(2-thienyl)-2-pyrimidinyl]phenoxy}-1-ethanone
TL;DR: 1-(1-Azepanyl)-2-{4-[4-(2-thienyl)-2-pyrimidinyl]phenoxy}-1-ethanone (CAS 477889-43-3) is a chemical compound with molecular formula C22H23N3O2S and molecular weight 393.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]ethanone
Also Known As: Bionet1_004688, 1-(1-azepanyl)-2-{4-[4-(2-thienyl)-2-pyrimidinyl]phenoxy}-1-ethanone, 2R-0238, 1-(azepan-1-yl)-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]ethanone, 1-(azepan-1-yl)-2-{4-[4-(thiophen-2-yl)pyrimidin-2-yl]phenoxy}ethan-1-one
| Molecular Formula | C22H23N3O2S |
|---|---|
| Molecular Weight | 393.15 g/mol |
| LogP | 4.6535 |
| Topological Polar Surface Area | 55.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.1511 |
| Heavy Atoms | 28 |
| Complexity | 901.796 |
Chemical Identifiers
| CAS Number | 477889-43-3 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)COC2=CC=C(C=C2)C3=NC=CC(=N3)C4=CC=CS4 |
Product Overview
1-(1-Azepanyl)-2-{4-[4-(2-thienyl)-2-pyrimidinyl]phenoxy}-1-ethanone (CAS 477889-43-3), with molecular formula C22H23N3O2S and molecular weight 393.15 g/mol. IUPAC: 1-(azepan-1-yl)-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]ethanone.
Chemical Property Profile of 1-(1-Azepanyl)-2-{4-[4-(2-thienyl)-2-pyrimidinyl]phenoxy}-1-ethanone
Property Insights of 1-(1-Azepanyl)-2-{4-[4-(2-thienyl)-2-pyrimidinyl]phenoxy}-1-ethanone
The XLogP value of 4.6535 indicates that 1-(1-Azepanyl)-2-{4-[4-(2-thienyl)-2-pyrimidinyl]phenoxy}-1-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.32 Ų, 1-(1-Azepanyl)-2-{4-[4-(2-thienyl)-2-pyrimidinyl]phenoxy}-1-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Azepanyl)-2-{4-[4-(2-thienyl)-2-pyrimidinyl]phenoxy}-1-ethanone 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 1-(1-Azepanyl)-2-{4-[4-(2-thienyl)-2-pyrimidinyl]phenoxy}-1-ethanone?
The CAS number of 1-(1-Azepanyl)-2-{4-[4-(2-thienyl)-2-pyrimidinyl]phenoxy}-1-ethanone is 477889-43-3.
What is the molecular formula of 1-(1-Azepanyl)-2-{4-[4-(2-thienyl)-2-pyrimidinyl]phenoxy}-1-ethanone?
The molecular formula of 1-(1-Azepanyl)-2-{4-[4-(2-thienyl)-2-pyrimidinyl]phenoxy}-1-ethanone is C22H23N3O2S.
What is the molecular weight of 1-(1-Azepanyl)-2-{4-[4-(2-thienyl)-2-pyrimidinyl]phenoxy}-1-ethanone?
The molecular weight of 1-(1-Azepanyl)-2-{4-[4-(2-thienyl)-2-pyrimidinyl]phenoxy}-1-ethanone is 393.15 g/mol.
Where can I buy 1-(1-Azepanyl)-2-{4-[4-(2-thienyl)-2-pyrimidinyl]phenoxy}-1-ethanone?
You can request a quote for 1-(1-Azepanyl)-2-{4-[4-(2-thienyl)-2-pyrimidinyl]phenoxy}-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Azepanyl)-2-{4-[4-(2-thienyl)-2-pyrimidinyl]phenoxy}-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Azepanyl)-2-{4-[4-(2-thienyl)-2-pyrimidinyl]phenoxy}-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.