7-Carboxyisoquinoline
TL;DR: 7-Carboxyisoquinoline (CAS 221054-70-2) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R)-5-ethyl-5-hydroxy-4,8-dihydro-1H-oxepino[3,4-c]pyridine-3,9-dione
Also Known As: 7-Carboxyisoquinoline, (+)-(5R)-5-Ethyl-5-hydroxy-2,5,6,9-tetrahydro-8-oxa-2-aza-benzocycloheptene-1,7-dione, J1.176.685D, (5R)-5-ethyl-5-hydroxy-4,8-dihydro-1H-oxepino[3,4-c]pyridine-3,9-dione, (5R)-5-ETHYL-5-HYDROXY-1,4,5,8-TETRAHYDROOXEPINO[3,4-C]PYRIDINE-3,9-DIONE
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 0.4194 |
| Topological Polar Surface Area | 79.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 479.11807 |
Chemical Identifiers
| CAS Number | 221054-70-2 |
|---|---|
| SMILES | CC[C@]1(CC(=O)OCC2=C1C=CNC2=O)O |
Product Overview
7-Carboxyisoquinoline (CAS 221054-70-2), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: (5R)-5-ethyl-5-hydroxy-4,8-dihydro-1H-oxepino[3,4-c]pyridine-3,9-dione.
Chemical Property Profile of 7-Carboxyisoquinoline
Property Insights of 7-Carboxyisoquinoline
The XLogP value of 0.4194 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Carboxyisoquinoline. The TPSA of 79.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Carboxyisoquinoline. Following Lipinski's Rule of Five, 7-Carboxyisoquinoline has 2 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 7-Carboxyisoquinoline?
The CAS number of 7-Carboxyisoquinoline is 221054-70-2.
What is the molecular formula of 7-Carboxyisoquinoline?
The molecular formula of 7-Carboxyisoquinoline is C11H13NO4.
What is the molecular weight of 7-Carboxyisoquinoline?
The molecular weight of 7-Carboxyisoquinoline is 223.08 g/mol.
Where can I buy 7-Carboxyisoquinoline?
You can request a quote for 7-Carboxyisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Carboxyisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 7-Carboxyisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.