2-Chloro-3-(2-dimethylaminoethylamino)naphthalene-1,4-dione
TL;DR: 2-Chloro-3-(2-dimethylaminoethylamino)naphthalene-1,4-dione (CAS 83027-27-4) is a chemical compound with molecular formula C14H15ClN2O2 and molecular weight 278.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-[2-(dimethylamino)ethylamino]naphthalene-1,4-dione
Also Known As: 2-chloro-3-(2-dimethylaminoethylamino)naphthalene-1,4-dione, J3.525.570B, 2-chloro-3-[2-(dimethylamino)ethylamino]naphthalene-1,4-dione, 3-Chloro-2-[[2-(dimethylamino)ethyl]amino]naphthalene-1,4-dione, 2-CHLORO-3-{[2-(DIMETHYLAMINO)ETHYL]AMINO}NAPHTHALENE-1,4-DIONE
| Molecular Formula | C14H15ClN2O2 |
|---|---|
| Molecular Weight | 278.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.0822 |
| Heavy Atoms | 19 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 83027-27-4 |
|---|---|
| SMILES | CN(C)CCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl |
| InChIKey | ZEYYTNKEDFUTRS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-3-(2-dimethylaminoethylamino)naphthalene-1,4-dione (CAS 83027-27-4), with molecular formula C14H15ClN2O2 and molecular weight 278.08 g/mol. IUPAC: 2-chloro-3-[2-(dimethylamino)ethylamino]naphthalene-1,4-dione.
Chemical Property Profile of 2-Chloro-3-(2-dimethylaminoethylamino)naphthalene-1,4-dione
Property Insights of 2-Chloro-3-(2-dimethylaminoethylamino)naphthalene-1,4-dione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3-(2-dimethylaminoethylamino)naphthalene-1,4-dione. With a topological polar surface area (TPSA) of 49.4 Ų, 2-Chloro-3-(2-dimethylaminoethylamino)naphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-(2-dimethylaminoethylamino)naphthalene-1,4-dione 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-(2-dimethylaminoethylamino)naphthalene-1,4-dione?
The CAS number of 2-Chloro-3-(2-dimethylaminoethylamino)naphthalene-1,4-dione is 83027-27-4.
What is the molecular formula of 2-Chloro-3-(2-dimethylaminoethylamino)naphthalene-1,4-dione?
The molecular formula of 2-Chloro-3-(2-dimethylaminoethylamino)naphthalene-1,4-dione is C14H15ClN2O2.
What is the molecular weight of 2-Chloro-3-(2-dimethylaminoethylamino)naphthalene-1,4-dione?
The molecular weight of 2-Chloro-3-(2-dimethylaminoethylamino)naphthalene-1,4-dione is 278.08 g/mol.
Where can I buy 2-Chloro-3-(2-dimethylaminoethylamino)naphthalene-1,4-dione?
You can request a quote for 2-Chloro-3-(2-dimethylaminoethylamino)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-(2-dimethylaminoethylamino)naphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-(2-dimethylaminoethylamino)naphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.