8-(1-Piperidinyl)-5,6-isoquinolinedione
TL;DR: 8-(1-Piperidinyl)-5,6-isoquinolinedione (CAS 63485-78-9) is a chemical compound with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-piperidin-1-ylisoquinoline-5,6-dione
Also Known As: 8-(1-Piperidinyl)-5,6-isoquinolinedione, 8-piperidin-1-ylisoquinoline-5,6-dione, 8-piperidinoisoquinoline-5,6-quinone, 8-(PIPERIDIN-1-YL)ISOQUINOLINE-5,6-DIONE, 8-(1-piperidyl)isoquinoline-5,6-dione
| Molecular Formula | C14H14N2O2 |
|---|---|
| Molecular Weight | 242.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 50.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.10553 |
| Heavy Atoms | 18 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 63485-78-9 |
|---|---|
| SMILES | C1CCN(CC1)C2=CC(=O)C(=O)C3=C2C=NC=C3 |
| InChIKey | BRLFCXUNHMGMQM-UHFFFAOYSA-N |
Product Overview
8-(1-Piperidinyl)-5,6-isoquinolinedione (CAS 63485-78-9), with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol. IUPAC: 8-piperidin-1-ylisoquinoline-5,6-dione.
Chemical Property Profile of 8-(1-Piperidinyl)-5,6-isoquinolinedione
Property Insights of 8-(1-Piperidinyl)-5,6-isoquinolinedione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(1-Piperidinyl)-5,6-isoquinolinedione. With a topological polar surface area (TPSA) of 50.3 Ų, 8-(1-Piperidinyl)-5,6-isoquinolinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(1-Piperidinyl)-5,6-isoquinolinedione has 0 hydrogen bond donor(s) and 4 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 8-(1-Piperidinyl)-5,6-isoquinolinedione?
The CAS number of 8-(1-Piperidinyl)-5,6-isoquinolinedione is 63485-78-9.
What is the molecular formula of 8-(1-Piperidinyl)-5,6-isoquinolinedione?
The molecular formula of 8-(1-Piperidinyl)-5,6-isoquinolinedione is C14H14N2O2.
What is the molecular weight of 8-(1-Piperidinyl)-5,6-isoquinolinedione?
The molecular weight of 8-(1-Piperidinyl)-5,6-isoquinolinedione is 242.11 g/mol.
Where can I buy 8-(1-Piperidinyl)-5,6-isoquinolinedione?
You can request a quote for 8-(1-Piperidinyl)-5,6-isoquinolinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(1-Piperidinyl)-5,6-isoquinolinedione?
Yes, KEHONG BIO provides custom synthesis services for 8-(1-Piperidinyl)-5,6-isoquinolinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.