Tox21_300208
TL;DR: Tox21_300208 (CAS 220860-50-4) is a chemical compound with molecular formula C18H17N3O3 and molecular weight 323.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-6-ethoxy-4-oxo-1H-1,5-naphthyridine-3-carboxamide
Also Known As: Tox21_300208, 1,5-Naphthyridine-3-carboxamide, 6-ethoxy-1,4-dihydro-4-oxo-N-(phenylmethyl)-, N-benzyl-6-ethoxy-4-oxo-1H-1,5-naphthyridine-3-carboxamide, CAS-220860-50-4, N-benzyl-6-ethoxy-4-oxo-1,4-dihydro-1,5-naphthyridine-3-carboxamide
| Molecular Formula | C18H17N3O3 |
|---|---|
| Molecular Weight | 323.13 g/mol |
| LogP | 2.2518 |
| Topological Polar Surface Area | 84.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.12698 |
| Heavy Atoms | 24 |
| Complexity | 919.69037 |
Chemical Identifiers
| CAS Number | 220860-50-4 |
|---|---|
| SMILES | CCOC1=NC2=C(C=C1)NC=C(C2=O)C(=O)NCC3=CC=CC=C3 |
Product Overview
Tox21_300208 (CAS 220860-50-4), with molecular formula C18H17N3O3 and molecular weight 323.13 g/mol. IUPAC: N-benzyl-6-ethoxy-4-oxo-1H-1,5-naphthyridine-3-carboxamide.
Chemical Property Profile of Tox21_300208
Property Insights of Tox21_300208
The XLogP value of 2.2518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tox21_300208. The TPSA of 84.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Tox21_300208. Following Lipinski's Rule of Five, Tox21_300208 has 2 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 Tox21_300208?
The CAS number of Tox21_300208 is 220860-50-4.
What is the molecular formula of Tox21_300208?
The molecular formula of Tox21_300208 is C18H17N3O3.
What is the molecular weight of Tox21_300208?
The molecular weight of Tox21_300208 is 323.13 g/mol.
Where can I buy Tox21_300208?
You can request a quote for Tox21_300208 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tox21_300208?
Yes, KEHONG BIO provides custom synthesis services for Tox21_300208 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.