Subarine
TL;DR: Subarine (CAS 445471-63-6) is a chemical compound with molecular formula C19H13N3O3 and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(5-oxo-6H-benzo[f][2,7]naphthyridin-4-yl)pyridine-3-carboxylate
Also Known As: Subarine, Subarin, J1.794.995K, methyl 2-(5-oxo-6H-benzo[f][2,7]naphthyridin-4-yl)pyridine-3-carboxylate, 3-Pyridinecarboxylic acid, 2-(5,6-dihydro-5-oxobenzo(c)(2,7)naphthyridin-4-yl)-, methyl ester
| Molecular Formula | C19H13N3O3 |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 81.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.0957 |
| Heavy Atoms | 25 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 445471-63-6 |
|---|---|
| SMILES | COC(=O)C1=C(N=CC=C1)C2=NC=CC3=C2C(=O)NC4=CC=CC=C34 |
| InChIKey | QTEMOSHKMIGNSF-UHFFFAOYSA-N |
Product Overview
Subarine (CAS 445471-63-6), with molecular formula C19H13N3O3 and molecular weight 331.10 g/mol. IUPAC: methyl 2-(5-oxo-6H-benzo[f][2,7]naphthyridin-4-yl)pyridine-3-carboxylate.
Chemical Property Profile of Subarine
Property Insights of Subarine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Subarine. The TPSA of 81.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Subarine. Following Lipinski's Rule of Five, Subarine has 1 hydrogen bond donor(s) and 5 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 Subarine?
The CAS number of Subarine is 445471-63-6.
What is the molecular formula of Subarine?
The molecular formula of Subarine is C19H13N3O3.
What is the molecular weight of Subarine?
The molecular weight of Subarine is 331.10 g/mol.
Where can I buy Subarine?
You can request a quote for Subarine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Subarine?
Yes, KEHONG BIO provides custom synthesis services for Subarine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.