![2-[4-(4-Benzylpiperidine-1-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone structure](/static/products/7019/701946-91-0.webp)
2-[4-(4-Benzylpiperidine-1-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone
TL;DR: 2-[4-(4-Benzylpiperidine-1-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone (CAS 701946-91-0) is a chemical compound with molecular formula C25H30N2O2S and molecular weight 422.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-benzylpiperidine-1-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone
Also Known As: 2-[4-(4-benzylpiperidine-1-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone, 2-{4-[(4-benzylpiperidin-1-yl)carbonothioyl]phenoxy}-1-(pyrrolidin-1-yl)ethanone
| Molecular Formula | C25H30N2O2S |
|---|---|
| Molecular Weight | 422.20 g/mol |
| LogP | 4.318 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.2028 |
| Heavy Atoms | 30 |
| Complexity | 839.21216 |
Chemical Identifiers
| CAS Number | 701946-91-0 |
|---|---|
| SMILES | C1CCN(C1)C(=O)COC2=CC=C(C=C2)C(=S)N3CCC(CC3)CC4=CC=CC=C4 |
Product Overview
2-[4-(4-Benzylpiperidine-1-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone (CAS 701946-91-0), with molecular formula C25H30N2O2S and molecular weight 422.20 g/mol. IUPAC: 2-[4-(4-benzylpiperidine-1-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of 2-[4-(4-Benzylpiperidine-1-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone
Property Insights of 2-[4-(4-Benzylpiperidine-1-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone
The XLogP value of 4.318 indicates that 2-[4-(4-Benzylpiperidine-1-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.78 Ų, 2-[4-(4-Benzylpiperidine-1-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(4-Benzylpiperidine-1-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone has 0 hydrogen bond donor(s) and 3 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 2-[4-(4-Benzylpiperidine-1-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone?
The CAS number of 2-[4-(4-Benzylpiperidine-1-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone is 701946-91-0.
What is the molecular formula of 2-[4-(4-Benzylpiperidine-1-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone?
The molecular formula of 2-[4-(4-Benzylpiperidine-1-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone is C25H30N2O2S.
What is the molecular weight of 2-[4-(4-Benzylpiperidine-1-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone?
The molecular weight of 2-[4-(4-Benzylpiperidine-1-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone is 422.20 g/mol.
Where can I buy 2-[4-(4-Benzylpiperidine-1-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone?
You can request a quote for 2-[4-(4-Benzylpiperidine-1-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(4-Benzylpiperidine-1-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(4-Benzylpiperidine-1-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.