Alangimarine
TL;DR: Alangimarine (CAS 77156-16-2) is a chemical compound with molecular formula C19H16N2O3 and molecular weight 320.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-ethenyl-2-hydroxy-3-methoxy-5,6-dihydroisoquinolino[2,1-b][2,7]naphthyridin-8-one
Also Known As: Alangimarine, 12-ethenyl-2-hydroxy-3-methoxy-5,6-dihydroisoquinolino[2,1-b][2,7]naphthyridin-8-one, 12-ethenyl-2-hydroxy-3-methoxy-5,6-dihydro-8H-isoquinolino[2,1-b][2,7]naphthyridin-8-one, 12-Vinyl-5,6-dihydro-2-hydroxy-3-methoxy-8H-isoquino[2,1-b][2,7]naphthyridin-8-one, 2-hydroxy-3-methoxy-12-vinyl-5,6-dihydro-8H-isoquinolino[2,1-b][2,7]naphthyridin-8-one
| Molecular Formula | C19H16N2O3 |
|---|---|
| Molecular Weight | 320.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.1161 |
| Heavy Atoms | 24 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 77156-16-2 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CCN3C2=CC4=C(C3=O)C=NC=C4C=C)O |
| InChIKey | JWOCTFIJQXTYOK-UHFFFAOYSA-N |
Product Overview
Alangimarine (CAS 77156-16-2), with molecular formula C19H16N2O3 and molecular weight 320.12 g/mol. IUPAC: 12-ethenyl-2-hydroxy-3-methoxy-5,6-dihydroisoquinolino[2,1-b][2,7]naphthyridin-8-one.
Chemical Property Profile of Alangimarine
Property Insights of Alangimarine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alangimarine. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Alangimarine. Following Lipinski's Rule of Five, Alangimarine has 1 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 Alangimarine?
The CAS number of Alangimarine is 77156-16-2.
What is the molecular formula of Alangimarine?
The molecular formula of Alangimarine is C19H16N2O3.
What is the molecular weight of Alangimarine?
The molecular weight of Alangimarine is 320.12 g/mol.
Where can I buy Alangimarine?
You can request a quote for Alangimarine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alangimarine?
Yes, KEHONG BIO provides custom synthesis services for Alangimarine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.