Phenyl isoquinoline-1-carboxylate
TL;DR: Phenyl isoquinoline-1-carboxylate (CAS 494202-63-0) is a chemical compound with molecular formula C16H11NO2 and molecular weight 249.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl isoquinoline-1-carboxylate
Also Known As: phenyl 1-isoquinolinecarboxylate, phenyl isoquinoline-1-carboxylate
| Molecular Formula | C16H11NO2 |
|---|---|
| Molecular Weight | 249.08 g/mol |
| LogP | 3.454 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.07898 |
| Heavy Atoms | 19 |
| Complexity | 717.6603 |
Chemical Identifiers
| CAS Number | 494202-63-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C2=NC=CC3=CC=CC=C32 |
Product Overview
Phenyl isoquinoline-1-carboxylate (CAS 494202-63-0), with molecular formula C16H11NO2 and molecular weight 249.08 g/mol. IUPAC: phenyl isoquinoline-1-carboxylate.
Chemical Property Profile of Phenyl isoquinoline-1-carboxylate
Property Insights of Phenyl isoquinoline-1-carboxylate
The XLogP value of 3.454 indicates that Phenyl isoquinoline-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, Phenyl isoquinoline-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl isoquinoline-1-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 Phenyl isoquinoline-1-carboxylate?
The CAS number of Phenyl isoquinoline-1-carboxylate is 494202-63-0.
What is the molecular formula of Phenyl isoquinoline-1-carboxylate?
The molecular formula of Phenyl isoquinoline-1-carboxylate is C16H11NO2.
What is the molecular weight of Phenyl isoquinoline-1-carboxylate?
The molecular weight of Phenyl isoquinoline-1-carboxylate is 249.08 g/mol.
Where can I buy Phenyl isoquinoline-1-carboxylate?
You can request a quote for Phenyl isoquinoline-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl isoquinoline-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl isoquinoline-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.