3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
TL;DR: 3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide (CAS 26862-51-1) is a chemical compound with molecular formula C10H12N2O2 and molecular weight 192.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carboxamide
Also Known As: 3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide, 2,3,5,6,7,8-hexahydro-3-oxoisoquinoline-4-carboxamide, 3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carboxamide, 3-Oxo-2,3,5,6,7,8-hexahydro-4-isoquinolinecarboxamide, 3-Oxo-2,3,5,6,7,8-hexahydro-4-isoquinolinecarboxamide #
| Molecular Formula | C10H12N2O2 |
|---|---|
| Molecular Weight | 192.09 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.08987 |
| Heavy Atoms | 14 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 26862-51-1 |
|---|---|
| SMILES | C1CCC2=C(C(=O)NC=C2C1)C(=O)N |
| InChIKey | QGXNSQNFMIPAKD-UHFFFAOYSA-N |
Product Overview
3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide (CAS 26862-51-1), with molecular formula C10H12N2O2 and molecular weight 192.09 g/mol. IUPAC: 3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carboxamide.
Chemical Property Profile of 3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Property Insights of 3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide. Following Lipinski's Rule of Five, 3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide 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-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide?
The CAS number of 3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide is 26862-51-1.
What is the molecular formula of 3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide?
The molecular formula of 3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide is C10H12N2O2.
What is the molecular weight of 3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide?
The molecular weight of 3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide is 192.09 g/mol.
Where can I buy 3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide?
You can request a quote for 3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.