Smipine
TL;DR: Smipine (CAS 52196-11-9) is a chemical compound with molecular formula C10H16N2O and molecular weight 180.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dihydro-2H-pyrrol-5-yl)piperidine-1-carbaldehyde
Also Known As: Smipine, 2-(3,4-dihydro-2h-pyrrol-5-yl)piperidine-1-carbaldehyde, 1-Piperidinecarboxaldehyde, 2-(3,4-dihydro-2H-pyrrol-5-yl)-, 2-(3,4-Dihydro-2H-pyrrol-5-yl)-1-piperidinecarboxaldehyde, 2-(4,5-dihydro-3H-pyrrol-2-yl)-1-formyl-piperidine
| Molecular Formula | C10H16N2O |
|---|---|
| Molecular Weight | 180.13 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.12627 |
| Heavy Atoms | 13 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 52196-11-9 |
|---|---|
| SMILES | C1CCN(C(C1)C2=NCCC2)C=O |
| InChIKey | FBNJGSJNODLRSZ-UHFFFAOYSA-N |
Product Overview
Smipine (CAS 52196-11-9), with molecular formula C10H16N2O and molecular weight 180.13 g/mol. IUPAC: 2-(3,4-dihydro-2H-pyrrol-5-yl)piperidine-1-carbaldehyde.
Chemical Property Profile of Smipine
Property Insights of Smipine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Smipine. With a topological polar surface area (TPSA) of 32.7 Ų, Smipine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Smipine 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 Smipine?
The CAS number of Smipine is 52196-11-9.
What is the molecular formula of Smipine?
The molecular formula of Smipine is C10H16N2O.
What is the molecular weight of Smipine?
The molecular weight of Smipine is 180.13 g/mol.
Where can I buy Smipine?
You can request a quote for Smipine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Smipine?
Yes, KEHONG BIO provides custom synthesis services for Smipine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.