2-Chloro-3-((3-(dimethylamino)propyl)amino)-1,4-naphthalenedione
TL;DR: 2-Chloro-3-((3-(dimethylamino)propyl)amino)-1,4-naphthalenedione (CAS 22272-09-9) is a chemical compound with molecular formula C15H17ClN2O2 and molecular weight 292.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-[3-(dimethylamino)propylamino]naphthalene-1,4-dione
Also Known As: 1,4-Naphthoquinone der., 1,4-NAPHTHOQUINONE, 2-CHLORO-3-(3-(DIMETHYLAMINO)PROPYLAMINO)-, 2-Chloro-3-(3-dimethylaminopropylamino)-1,4-naphthoquinone, 2-chloro-3-[3-(dimethylamino)propylamino]naphthalene-1,4-dione, 1, 2-chloro-3-(3-(dimethylamino)propylamino)-
| Molecular Formula | C15H17ClN2O2 |
|---|---|
| Molecular Weight | 292.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.09787 |
| Heavy Atoms | 20 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 22272-09-9 |
|---|---|
| SMILES | CN(C)CCCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl |
| InChIKey | FLTZGMPLSGEVAO-UHFFFAOYSA-N |
Product Overview
2-Chloro-3-((3-(dimethylamino)propyl)amino)-1,4-naphthalenedione (CAS 22272-09-9), with molecular formula C15H17ClN2O2 and molecular weight 292.10 g/mol. IUPAC: 2-chloro-3-[3-(dimethylamino)propylamino]naphthalene-1,4-dione.
Chemical Property Profile of 2-Chloro-3-((3-(dimethylamino)propyl)amino)-1,4-naphthalenedione
Property Insights of 2-Chloro-3-((3-(dimethylamino)propyl)amino)-1,4-naphthalenedione
The XLogP value of 3.1 indicates that 2-Chloro-3-((3-(dimethylamino)propyl)amino)-1,4-naphthalenedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.4 Ų, 2-Chloro-3-((3-(dimethylamino)propyl)amino)-1,4-naphthalenedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-((3-(dimethylamino)propyl)amino)-1,4-naphthalenedione 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-Chloro-3-((3-(dimethylamino)propyl)amino)-1,4-naphthalenedione?
The CAS number of 2-Chloro-3-((3-(dimethylamino)propyl)amino)-1,4-naphthalenedione is 22272-09-9.
What is the molecular formula of 2-Chloro-3-((3-(dimethylamino)propyl)amino)-1,4-naphthalenedione?
The molecular formula of 2-Chloro-3-((3-(dimethylamino)propyl)amino)-1,4-naphthalenedione is C15H17ClN2O2.
What is the molecular weight of 2-Chloro-3-((3-(dimethylamino)propyl)amino)-1,4-naphthalenedione?
The molecular weight of 2-Chloro-3-((3-(dimethylamino)propyl)amino)-1,4-naphthalenedione is 292.10 g/mol.
Where can I buy 2-Chloro-3-((3-(dimethylamino)propyl)amino)-1,4-naphthalenedione?
You can request a quote for 2-Chloro-3-((3-(dimethylamino)propyl)amino)-1,4-naphthalenedione 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-((3-(dimethylamino)propyl)amino)-1,4-naphthalenedione?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-((3-(dimethylamino)propyl)amino)-1,4-naphthalenedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.