Isoquinoline, 1-amino-3-(3-pyridyl)-
TL;DR: Isoquinoline, 1-amino-3-(3-pyridyl)- (CAS 38172-59-7) is a chemical compound with molecular formula C14H11N3 and molecular weight 221.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyridin-3-ylisoquinolin-1-amine
Also Known As: 3-(pyridin-3-yl)isoquinolin-1-amine, Isoquinoline, 1-amino-3-(3-pyridyl)-, Nc1nc(cc2ccccc12)c3cccnc3, 1-Amino-3-(3-pyridyl)isoquinoline, 1-Isoquinolinamine, 3-(3-pyridinyl)-
| Molecular Formula | C14H11N3 |
|---|---|
| Molecular Weight | 221.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.09529 |
| Heavy Atoms | 17 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 38172-59-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(N=C2N)C3=CN=CC=C3 |
| InChIKey | HKTHEKGLHMSGCU-UHFFFAOYSA-N |
Product Overview
Isoquinoline, 1-amino-3-(3-pyridyl)- (CAS 38172-59-7), with molecular formula C14H11N3 and molecular weight 221.10 g/mol. IUPAC: 3-pyridin-3-ylisoquinolin-1-amine.
Chemical Property Profile of Isoquinoline, 1-amino-3-(3-pyridyl)-
Property Insights of Isoquinoline, 1-amino-3-(3-pyridyl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline, 1-amino-3-(3-pyridyl)-. With a topological polar surface area (TPSA) of 51.8 Ų, Isoquinoline, 1-amino-3-(3-pyridyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 1-amino-3-(3-pyridyl)- has 1 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, 1-amino-3-(3-pyridyl)-?
The CAS number of Isoquinoline, 1-amino-3-(3-pyridyl)- is 38172-59-7.
What is the molecular formula of Isoquinoline, 1-amino-3-(3-pyridyl)-?
The molecular formula of Isoquinoline, 1-amino-3-(3-pyridyl)- is C14H11N3.
What is the molecular weight of Isoquinoline, 1-amino-3-(3-pyridyl)-?
The molecular weight of Isoquinoline, 1-amino-3-(3-pyridyl)- is 221.10 g/mol.
Where can I buy Isoquinoline, 1-amino-3-(3-pyridyl)-?
You can request a quote for Isoquinoline, 1-amino-3-(3-pyridyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline, 1-amino-3-(3-pyridyl)-?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 1-amino-3-(3-pyridyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.