Isoquinoline-3-carboxylate
TL;DR: Isoquinoline-3-carboxylate (CAS 207399-25-5) is a chemical compound with molecular formula C10H6NO2- and molecular weight 172.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
isoquinoline-3-carboxylate
Also Known As: isoquinoline-3-carboxylate, Isoquinoline-3-carboxylic Acid Hydrate, RefChem:350069
| Molecular Formula | C10H6NO2- |
|---|---|
| Molecular Weight | 172.04 g/mol |
| LogP | 0.5983 |
| Topological Polar Surface Area | 53.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.03986 |
| Heavy Atoms | 13 |
| Complexity | 465.18634 |
Chemical Identifiers
| CAS Number | 207399-25-5 |
|---|---|
| SMILES | C1=CC=C2C=NC(=CC2=C1)C(=O)[O-] |
Product Overview
Isoquinoline-3-carboxylate (CAS 207399-25-5), with molecular formula C10H6NO2- and molecular weight 172.04 g/mol. IUPAC: isoquinoline-3-carboxylate.
Chemical Property Profile of Isoquinoline-3-carboxylate
Property Insights of Isoquinoline-3-carboxylate
The XLogP value of 0.5983 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline-3-carboxylate. With a topological polar surface area (TPSA) of 53.02 Ų, Isoquinoline-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline-3-carboxylate has 0 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 Isoquinoline-3-carboxylate?
The CAS number of Isoquinoline-3-carboxylate is 207399-25-5.
What is the molecular formula of Isoquinoline-3-carboxylate?
The molecular formula of Isoquinoline-3-carboxylate is C10H6NO2-.
What is the molecular weight of Isoquinoline-3-carboxylate?
The molecular weight of Isoquinoline-3-carboxylate is 172.04 g/mol.
Where can I buy Isoquinoline-3-carboxylate?
You can request a quote for Isoquinoline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.