2-Chloro-3-pyrrolidino-1,4-naphthoquinone
TL;DR: 2-Chloro-3-pyrrolidino-1,4-naphthoquinone (CAS 59641-25-7) is a chemical compound with molecular formula C14H12ClNO2 and molecular weight 261.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-pyrrolidin-1-ylnaphthalene-1,4-dione
Also Known As: 2-Chloro-3-pyrrolidino-1,4-naphthoquinone, 2-Chloro-3-(1-pyrrolidinyl)naphthoquinone, 2-chloro-3-pyrrolidin-1-ylnaphthalene-1,4-dione, 2-Chloro-3-(pyrrolidin-1-yl)naphthalene-1,4-dione, 2-chloro-3-(pyrrolidin-1-yl)-1,4-dihydronaphthalene-1,4-dione
| Molecular Formula | C14H12ClNO2 |
|---|---|
| Molecular Weight | 261.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.05566 |
| Heavy Atoms | 18 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 59641-25-7 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl |
| InChIKey | QWKZKEUBFVSTDB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-3-pyrrolidino-1,4-naphthoquinone (CAS 59641-25-7), with molecular formula C14H12ClNO2 and molecular weight 261.06 g/mol. IUPAC: 2-chloro-3-pyrrolidin-1-ylnaphthalene-1,4-dione.
Chemical Property Profile of 2-Chloro-3-pyrrolidino-1,4-naphthoquinone
Property Insights of 2-Chloro-3-pyrrolidino-1,4-naphthoquinone
The XLogP value of 3.4 indicates that 2-Chloro-3-pyrrolidino-1,4-naphthoquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, 2-Chloro-3-pyrrolidino-1,4-naphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-pyrrolidino-1,4-naphthoquinone 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-Chloro-3-pyrrolidino-1,4-naphthoquinone?
The CAS number of 2-Chloro-3-pyrrolidino-1,4-naphthoquinone is 59641-25-7.
What is the molecular formula of 2-Chloro-3-pyrrolidino-1,4-naphthoquinone?
The molecular formula of 2-Chloro-3-pyrrolidino-1,4-naphthoquinone is C14H12ClNO2.
What is the molecular weight of 2-Chloro-3-pyrrolidino-1,4-naphthoquinone?
The molecular weight of 2-Chloro-3-pyrrolidino-1,4-naphthoquinone is 261.06 g/mol.
Where can I buy 2-Chloro-3-pyrrolidino-1,4-naphthoquinone?
You can request a quote for 2-Chloro-3-pyrrolidino-1,4-naphthoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3-pyrrolidino-1,4-naphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-pyrrolidino-1,4-naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.