3-吲哚基-4-哌啶基酮
TL;DR: 3-吲哚基-4-哌啶基酮 (CAS 5275-02-5) is a chemical compound with molecular formula C14H16N2O and molecular weight 228.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-吲哚基-4-哌啶基酮
1H-indol-3-yl(piperidin-4-yl)methanone
Also Known As: 3-Isonipecotylindole, (1H-Indol-3-yl)(piperidin-4-yl)methanone, KETONE, 3-INDOLYL 4-PIPERIDYL, 3-(piperidine-4-carbonyl)-1H-indole, 1H-Indol-3-yl(4-piperidyl) ketone
| Molecular Formula | C14H16N2O |
|---|---|
| Molecular Weight | 228.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 44.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.12627 |
| Heavy Atoms | 17 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 5275-02-5 |
|---|---|
| SMILES | C1CNCCC1C(=O)C2=CNC3=CC=CC=C32 |
| InChIKey | CKXVQPZQTVVCCB-UHFFFAOYSA-N |
Product Overview
3-吲哚基-4-哌啶基酮 (CAS 5275-02-5), with molecular formula C14H16N2O and molecular weight 228.13 g/mol. IUPAC: 1H-indol-3-yl(piperidin-4-yl)methanone.
Chemical Property Profile of 3-吲哚基-4-哌啶基酮
Property Insights of 3-吲哚基-4-哌啶基酮
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-吲哚基-4-哌啶基酮. With a topological polar surface area (TPSA) of 44.9 Ų, 3-吲哚基-4-哌啶基酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-吲哚基-4-哌啶基酮 has 2 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 3-吲哚基-4-哌啶基酮?
The CAS number of 3-吲哚基-4-哌啶基酮 is 5275-02-5.
What is the molecular formula of 3-吲哚基-4-哌啶基酮?
The molecular formula of 3-吲哚基-4-哌啶基酮 is C14H16N2O.
What is the molecular weight of 3-吲哚基-4-哌啶基酮?
The molecular weight of 3-吲哚基-4-哌啶基酮 is 228.13 g/mol.
Where can I buy 3-吲哚基-4-哌啶基酮?
You can request a quote for 3-吲哚基-4-哌啶基酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-吲哚基-4-哌啶基酮?
Yes, KEHONG BIO provides custom synthesis services for 3-吲哚基-4-哌啶基酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.