1,4-Naphthalenedione, 2-(phenylthio)-3-(1-pyrrolidinyl)-
TL;DR: 1,4-Naphthalenedione, 2-(phenylthio)-3-(1-pyrrolidinyl)- (CAS 500755-47-5) is a chemical compound with molecular formula C20H17NO2S and molecular weight 335.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylsulfanyl-3-pyrrolidin-1-ylnaphthalene-1,4-dione
Also Known As: J1.853.491F, 1,4-Naphthalenedione, 2-(phenylthio)-3-(1-pyrrolidinyl)-, 2-phenylsulfanyl-3-pyrrolidin-1-ylnaphthalene-1,4-dione, 2-(1-Pyrrolidinyl)-3-(phenylthio)-1,4-naphthoquinone, 2-(phenylthio)-3-(pyrrolidin-1-yl)-1,4-naphthoquinone
| Molecular Formula | C20H17NO2S |
|---|---|
| Molecular Weight | 335.10 g/mol |
| LogP | 4.1653 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.098 |
| Heavy Atoms | 24 |
| Complexity | 835.7272 |
Chemical Identifiers
| CAS Number | 500755-47-5 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C(=O)C3=CC=CC=C3C2=O)SC4=CC=CC=C4 |
Product Overview
1,4-Naphthalenedione, 2-(phenylthio)-3-(1-pyrrolidinyl)- (CAS 500755-47-5), with molecular formula C20H17NO2S and molecular weight 335.10 g/mol. IUPAC: 2-phenylsulfanyl-3-pyrrolidin-1-ylnaphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthalenedione, 2-(phenylthio)-3-(1-pyrrolidinyl)-
Property Insights of 1,4-Naphthalenedione, 2-(phenylthio)-3-(1-pyrrolidinyl)-
The XLogP value of 4.1653 indicates that 1,4-Naphthalenedione, 2-(phenylthio)-3-(1-pyrrolidinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, 1,4-Naphthalenedione, 2-(phenylthio)-3-(1-pyrrolidinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 2-(phenylthio)-3-(1-pyrrolidinyl)- has 0 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 1,4-Naphthalenedione, 2-(phenylthio)-3-(1-pyrrolidinyl)-?
The CAS number of 1,4-Naphthalenedione, 2-(phenylthio)-3-(1-pyrrolidinyl)- is 500755-47-5.
What is the molecular formula of 1,4-Naphthalenedione, 2-(phenylthio)-3-(1-pyrrolidinyl)-?
The molecular formula of 1,4-Naphthalenedione, 2-(phenylthio)-3-(1-pyrrolidinyl)- is C20H17NO2S.
What is the molecular weight of 1,4-Naphthalenedione, 2-(phenylthio)-3-(1-pyrrolidinyl)-?
The molecular weight of 1,4-Naphthalenedione, 2-(phenylthio)-3-(1-pyrrolidinyl)- is 335.10 g/mol.
Where can I buy 1,4-Naphthalenedione, 2-(phenylthio)-3-(1-pyrrolidinyl)-?
You can request a quote for 1,4-Naphthalenedione, 2-(phenylthio)-3-(1-pyrrolidinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Naphthalenedione, 2-(phenylthio)-3-(1-pyrrolidinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 2-(phenylthio)-3-(1-pyrrolidinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.