2-Chloro-3-(propylamino)naphthalene-1,4-dione
TL;DR: 2-Chloro-3-(propylamino)naphthalene-1,4-dione (CAS 22401-80-5) is a chemical compound with molecular formula C13H12ClNO2 and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-(propylamino)naphthalene-1,4-dione
Also Known As: 2-chloro-3-(propylamino)naphthalene-1,4-dione, NCIOpen2_005670, 2-chloro-3-(propylamino)naphthoquinone, 1,4-Naphthalenedione,2-chloro-3-(propylamino)-, 2-chloro-3-(propylamino)-1,4-naphthoquinone
| Molecular Formula | C13H12ClNO2 |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.05565 |
| Heavy Atoms | 17 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 22401-80-5 |
|---|---|
| SMILES | CCCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl |
| InChIKey | XRAWTFQHXJQAGX-UHFFFAOYSA-N |
Product Overview
2-Chloro-3-(propylamino)naphthalene-1,4-dione (CAS 22401-80-5), with molecular formula C13H12ClNO2 and molecular weight 249.06 g/mol. IUPAC: 2-chloro-3-(propylamino)naphthalene-1,4-dione.
Chemical Property Profile of 2-Chloro-3-(propylamino)naphthalene-1,4-dione
Property Insights of 2-Chloro-3-(propylamino)naphthalene-1,4-dione
The XLogP value of 3.6 indicates that 2-Chloro-3-(propylamino)naphthalene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.2 Ų, 2-Chloro-3-(propylamino)naphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-(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-Chloro-3-(propylamino)naphthalene-1,4-dione?
The CAS number of 2-Chloro-3-(propylamino)naphthalene-1,4-dione is 22401-80-5.
What is the molecular formula of 2-Chloro-3-(propylamino)naphthalene-1,4-dione?
The molecular formula of 2-Chloro-3-(propylamino)naphthalene-1,4-dione is C13H12ClNO2.
What is the molecular weight of 2-Chloro-3-(propylamino)naphthalene-1,4-dione?
The molecular weight of 2-Chloro-3-(propylamino)naphthalene-1,4-dione is 249.06 g/mol.
Where can I buy 2-Chloro-3-(propylamino)naphthalene-1,4-dione?
You can request a quote for 2-Chloro-3-(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-Chloro-3-(propylamino)naphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-(propylamino)naphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.