2-((3-Pyridinylmethyl)amino)-1,4-naphthalenedione
TL;DR: 2-((3-Pyridinylmethyl)amino)-1,4-naphthalenedione (CAS 5097-46-1) is a chemical compound with molecular formula C16H12N2O2 and molecular weight 264.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(pyridin-3-ylmethylamino)naphthalene-1,4-dione
Also Known As: 2-((pyridin-3-ylmethyl)amino)naphthalene-1,4-dione, 2-(pyridin-3-ylmethylamino)naphthalene-1,4-dione, J3.167.336D, 2-[(3-Pyridinylmethyl)amino]-1,4-naphthalenedione, 2-[(3-Pyridyl)methylamino]-1,4-naphthoquinone
| Molecular Formula | C16H12N2O2 |
|---|---|
| Molecular Weight | 264.09 g/mol |
| LogP | 2.1343 |
| Topological Polar Surface Area | 59.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.08987 |
| Heavy Atoms | 20 |
| Complexity | 705.42664 |
Chemical Identifiers
| CAS Number | 5097-46-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C=C(C2=O)NCC3=CN=CC=C3 |
Product Overview
2-((3-Pyridinylmethyl)amino)-1,4-naphthalenedione (CAS 5097-46-1), with molecular formula C16H12N2O2 and molecular weight 264.09 g/mol. IUPAC: 2-(pyridin-3-ylmethylamino)naphthalene-1,4-dione.
Chemical Property Profile of 2-((3-Pyridinylmethyl)amino)-1,4-naphthalenedione
Property Insights of 2-((3-Pyridinylmethyl)amino)-1,4-naphthalenedione
The XLogP value of 2.1343 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3-Pyridinylmethyl)amino)-1,4-naphthalenedione. With a topological polar surface area (TPSA) of 59.06 Ų, 2-((3-Pyridinylmethyl)amino)-1,4-naphthalenedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((3-Pyridinylmethyl)amino)-1,4-naphthalenedione 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 2-((3-Pyridinylmethyl)amino)-1,4-naphthalenedione?
The CAS number of 2-((3-Pyridinylmethyl)amino)-1,4-naphthalenedione is 5097-46-1.
What is the molecular formula of 2-((3-Pyridinylmethyl)amino)-1,4-naphthalenedione?
The molecular formula of 2-((3-Pyridinylmethyl)amino)-1,4-naphthalenedione is C16H12N2O2.
What is the molecular weight of 2-((3-Pyridinylmethyl)amino)-1,4-naphthalenedione?
The molecular weight of 2-((3-Pyridinylmethyl)amino)-1,4-naphthalenedione is 264.09 g/mol.
Where can I buy 2-((3-Pyridinylmethyl)amino)-1,4-naphthalenedione?
You can request a quote for 2-((3-Pyridinylmethyl)amino)-1,4-naphthalenedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-Pyridinylmethyl)amino)-1,4-naphthalenedione?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-Pyridinylmethyl)amino)-1,4-naphthalenedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.