5-苄氧基-3-吲哚基-4-哌啶基甲酮
TL;DR: 5-苄氧基-3-吲哚基-4-哌啶基甲酮 (CAS 101670-78-4) is a chemical compound with molecular formula C21H22N2O2 and molecular weight 334.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-苄氧基-3-吲哚基-4-哌啶基甲酮
(5-phenylmethoxy-1H-indol-3-yl)-piperidin-4-ylmethanone
Also Known As: 5-Benzyloxy-3-isonipecotoylindole, Indole, 5-benzyloxy-3-isonipecotoyl-, KETONE, 5-BENZYLOXY-3-INDOLYL 4-PIPERIDYL, Indole,5-benzyloxy-3-isonipecotoyl, 4-Piperidyl 5-benzyloxy-1H-indol-3-yl ketone
| Molecular Formula | C21H22N2O2 |
|---|---|
| Molecular Weight | 334.17 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 54.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.16812 |
| Heavy Atoms | 25 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 101670-78-4 |
|---|---|
| SMILES | C1CNCCC1C(=O)C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4 |
| InChIKey | IMVYEAYZQOEKCO-UHFFFAOYSA-N |
Product Overview
5-苄氧基-3-吲哚基-4-哌啶基甲酮 (CAS 101670-78-4), with molecular formula C21H22N2O2 and molecular weight 334.17 g/mol. IUPAC: (5-phenylmethoxy-1H-indol-3-yl)-piperidin-4-ylmethanone.
Chemical Property Profile of 5-苄氧基-3-吲哚基-4-哌啶基甲酮
Property Insights of 5-苄氧基-3-吲哚基-4-哌啶基甲酮
The XLogP value of 3.2 indicates that 5-苄氧基-3-吲哚基-4-哌啶基甲酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.1 Ų, 5-苄氧基-3-吲哚基-4-哌啶基甲酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-苄氧基-3-吲哚基-4-哌啶基甲酮 has 2 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 5-苄氧基-3-吲哚基-4-哌啶基甲酮?
The CAS number of 5-苄氧基-3-吲哚基-4-哌啶基甲酮 is 101670-78-4.
What is the molecular formula of 5-苄氧基-3-吲哚基-4-哌啶基甲酮?
The molecular formula of 5-苄氧基-3-吲哚基-4-哌啶基甲酮 is C21H22N2O2.
What is the molecular weight of 5-苄氧基-3-吲哚基-4-哌啶基甲酮?
The molecular weight of 5-苄氧基-3-吲哚基-4-哌啶基甲酮 is 334.17 g/mol.
Where can I buy 5-苄氧基-3-吲哚基-4-哌啶基甲酮?
You can request a quote for 5-苄氧基-3-吲哚基-4-哌啶基甲酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-苄氧基-3-吲哚基-4-哌啶基甲酮?
Yes, KEHONG BIO provides custom synthesis services for 5-苄氧基-3-吲哚基-4-哌啶基甲酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.