SIR3 9vix 45
TL;DR: SIR3 9vix 45 (CAS 56501-68-9) is a chemical compound with molecular formula C21H22N4O and molecular weight 346.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(piperidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carbonitrile
Also Known As: SIR3 9vix 45, SIR3-9vix-45, 8-(Piperidine-1-carbonyl)-9,10-didehydroergoline-6-carbonitrile
| Molecular Formula | C21H22N4O |
|---|---|
| Molecular Weight | 346.18 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 63.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 346.17935 |
| Heavy Atoms | 26 |
| Complexity | 658.0 |
Chemical Identifiers
| CAS Number | 56501-68-9 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)C2CN(C3CC4=CNC5=CC=CC(=C45)C3=C2)C#N |
| InChIKey | BOYFJBFTOSPHBB-UHFFFAOYSA-N |
Product Overview
SIR3 9vix 45 (CAS 56501-68-9), with molecular formula C21H22N4O and molecular weight 346.18 g/mol. IUPAC: 9-(piperidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carbonitrile.
Chemical Property Profile of SIR3 9vix 45
Property Insights of SIR3 9vix 45
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SIR3 9vix 45. The TPSA of 63.1 Ų falls within the moderate polarity range, balancing permeability and solubility for SIR3 9vix 45. Following Lipinski's Rule of Five, SIR3 9vix 45 has 1 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 SIR3 9vix 45?
The CAS number of SIR3 9vix 45 is 56501-68-9.
What is the molecular formula of SIR3 9vix 45?
The molecular formula of SIR3 9vix 45 is C21H22N4O.
What is the molecular weight of SIR3 9vix 45?
The molecular weight of SIR3 9vix 45 is 346.18 g/mol.
Where can I buy SIR3 9vix 45?
You can request a quote for SIR3 9vix 45 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SIR3 9vix 45?
Yes, KEHONG BIO provides custom synthesis services for SIR3 9vix 45 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.