2-(Butylamino)-3-ethoxynaphthalene-1,4-dione
TL;DR: 2-(Butylamino)-3-ethoxynaphthalene-1,4-dione (CAS 61145-56-0) is a chemical compound with molecular formula C16H19NO3 and molecular weight 273.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(butylamino)-3-ethoxynaphthalene-1,4-dione
Also Known As: 2-(butylamino)-3-ethoxynaphthalene-1,4-dione, Brom-bis-(4-nitro-phenyl)-methan, 1,4-Naphthalenedione,2-(butylamino)-3-ethoxy-
| Molecular Formula | C16H19NO3 |
|---|---|
| Molecular Weight | 273.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.1365 |
| Heavy Atoms | 20 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 61145-56-0 |
|---|---|
| SMILES | CCCCNC1=C(C(=O)C2=CC=CC=C2C1=O)OCC |
| InChIKey | FKJDWIZKUFDYKO-UHFFFAOYSA-N |
Product Overview
2-(Butylamino)-3-ethoxynaphthalene-1,4-dione (CAS 61145-56-0), with molecular formula C16H19NO3 and molecular weight 273.14 g/mol. IUPAC: 2-(butylamino)-3-ethoxynaphthalene-1,4-dione.
Chemical Property Profile of 2-(Butylamino)-3-ethoxynaphthalene-1,4-dione
Property Insights of 2-(Butylamino)-3-ethoxynaphthalene-1,4-dione
The XLogP value of 3.4 indicates that 2-(Butylamino)-3-ethoxynaphthalene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 2-(Butylamino)-3-ethoxynaphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Butylamino)-3-ethoxynaphthalene-1,4-dione 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-(Butylamino)-3-ethoxynaphthalene-1,4-dione?
The CAS number of 2-(Butylamino)-3-ethoxynaphthalene-1,4-dione is 61145-56-0.
What is the molecular formula of 2-(Butylamino)-3-ethoxynaphthalene-1,4-dione?
The molecular formula of 2-(Butylamino)-3-ethoxynaphthalene-1,4-dione is C16H19NO3.
What is the molecular weight of 2-(Butylamino)-3-ethoxynaphthalene-1,4-dione?
The molecular weight of 2-(Butylamino)-3-ethoxynaphthalene-1,4-dione is 273.14 g/mol.
Where can I buy 2-(Butylamino)-3-ethoxynaphthalene-1,4-dione?
You can request a quote for 2-(Butylamino)-3-ethoxynaphthalene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Butylamino)-3-ethoxynaphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(Butylamino)-3-ethoxynaphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.