2-(Pyrrolidin-1-yl)naphthalene-1,4-dione
TL;DR: 2-(Pyrrolidin-1-yl)naphthalene-1,4-dione (CAS 7226-62-2) is a chemical compound with molecular formula C14H13NO2 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyrrolidin-1-ylnaphthalene-1,4-dione
Also Known As: 2-(pyrrolidin-1-yl)naphthalene-1,4-dione, 2-(1-pyrrolidinyl)naphthoquinone, Naphthoquinone,2-(N-pyrrolidinyl), 2-pyrrolidin-1-ylnaphthalene-1,4-dione, 1,4-Naphthalenedione, 2-(1-pyrrolidinyl)-
| Molecular Formula | C14H13NO2 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 2.0453 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.09464 |
| Heavy Atoms | 17 |
| Complexity | 524.7787 |
Chemical Identifiers
| CAS Number | 7226-62-2 |
|---|---|
| SMILES | C1CCN(C1)C2=CC(=O)C3=CC=CC=C3C2=O |
Product Overview
2-(Pyrrolidin-1-yl)naphthalene-1,4-dione (CAS 7226-62-2), with molecular formula C14H13NO2 and molecular weight 227.09 g/mol. IUPAC: 2-pyrrolidin-1-ylnaphthalene-1,4-dione.
Chemical Property Profile of 2-(Pyrrolidin-1-yl)naphthalene-1,4-dione
Property Insights of 2-(Pyrrolidin-1-yl)naphthalene-1,4-dione
The XLogP value of 2.0453 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Pyrrolidin-1-yl)naphthalene-1,4-dione. With a topological polar surface area (TPSA) of 37.38 Ų, 2-(Pyrrolidin-1-yl)naphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Pyrrolidin-1-yl)naphthalene-1,4-dione has 0 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-(Pyrrolidin-1-yl)naphthalene-1,4-dione?
The CAS number of 2-(Pyrrolidin-1-yl)naphthalene-1,4-dione is 7226-62-2.
What is the molecular formula of 2-(Pyrrolidin-1-yl)naphthalene-1,4-dione?
The molecular formula of 2-(Pyrrolidin-1-yl)naphthalene-1,4-dione is C14H13NO2.
What is the molecular weight of 2-(Pyrrolidin-1-yl)naphthalene-1,4-dione?
The molecular weight of 2-(Pyrrolidin-1-yl)naphthalene-1,4-dione is 227.09 g/mol.
Where can I buy 2-(Pyrrolidin-1-yl)naphthalene-1,4-dione?
You can request a quote for 2-(Pyrrolidin-1-yl)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-(Pyrrolidin-1-yl)naphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(Pyrrolidin-1-yl)naphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.