2-(Propylamino)naphthalene-1,4-dione
TL;DR: 2-(Propylamino)naphthalene-1,4-dione (CAS 21217-52-7) is a chemical compound with molecular formula C13H13NO2 and molecular weight 215.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(propylamino)naphthalene-1,4-dione
Also Known As: 2-(propylamino)naphthalene-1,4-dione, 2-propylamino-1,4-naphthoquinone, 2-(Propylamino)-1,4-naphthoquinone, J1.157.449A, 2-(propylamino)-1,4-dihydronaphthalene-1,4-dione
| Molecular Formula | C13H13NO2 |
|---|---|
| Molecular Weight | 215.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.09464 |
| Heavy Atoms | 16 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 21217-52-7 |
|---|---|
| SMILES | CCCNC1=CC(=O)C2=CC=CC=C2C1=O |
| InChIKey | MKSULDSEQKGEEL-UHFFFAOYSA-N |
Product Overview
2-(Propylamino)naphthalene-1,4-dione (CAS 21217-52-7), with molecular formula C13H13NO2 and molecular weight 215.09 g/mol. IUPAC: 2-(propylamino)naphthalene-1,4-dione.
Chemical Property Profile of 2-(Propylamino)naphthalene-1,4-dione
Property Insights of 2-(Propylamino)naphthalene-1,4-dione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Propylamino)naphthalene-1,4-dione. With a topological polar surface area (TPSA) of 46.2 Ų, 2-(Propylamino)naphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Propylamino)naphthalene-1,4-dione has 1 hydrogen bond donor(s) and 3 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-(Propylamino)naphthalene-1,4-dione?
The CAS number of 2-(Propylamino)naphthalene-1,4-dione is 21217-52-7.
What is the molecular formula of 2-(Propylamino)naphthalene-1,4-dione?
The molecular formula of 2-(Propylamino)naphthalene-1,4-dione is C13H13NO2.
What is the molecular weight of 2-(Propylamino)naphthalene-1,4-dione?
The molecular weight of 2-(Propylamino)naphthalene-1,4-dione is 215.09 g/mol.
Where can I buy 2-(Propylamino)naphthalene-1,4-dione?
You can request a quote for 2-(Propylamino)naphthalene-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-(Propylamino)naphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(Propylamino)naphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.