2-chloro-3-[(E)-(6,7-dichloro-1,3-dimethylquinoxalin-2-ylide
TL;DR: 2-chloro-3-[(E)-(6,7-dichloro-1,3-dimethylquinoxalin-2-ylide (CAS 52736-81-9) is a chemical compound with molecular formula C21H13Cl3N2O2 and molecular weight 430.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-[(6,7-dichloro-1,3-dimethylquinoxalin-2-ylidene)methyl]naphthalene-1,4-dione
Also Known As: 2-chloro-3-[(E)-(6,7-dichloro-1,3-dimethylquinoxalin-2-ylide, 2-chloro-3-[(6,7-dichloro-1,3-dimethyl-quinoxalin-2-ylidene)methyl]naphthalene-1,4-dione, 2-chloro-3-[(6,7-dichloro-1,3-dimethylquinoxalin-2-ylidene)methyl]naphthalene-1,4-dione, 1,4-Naphthalenedione, 2-chloro-3-[(6,7-dichloro-1,3-dimethyl-2(1H)-quinoxalinylidene)methyl]-
| Molecular Formula | C21H13Cl3N2O2 |
|---|---|
| Molecular Weight | 430.00 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 430.00427 |
| Heavy Atoms | 28 |
| Complexity | 803.0 |
Chemical Identifiers
| CAS Number | 52736-81-9 |
|---|---|
| SMILES | CC1=NC2=CC(=C(C=C2N(C1=CC3=C(C(=O)C4=CC=CC=C4C3=O)Cl)C)Cl)Cl |
| InChIKey | XKFQSLPTTUGNBQ-UHFFFAOYSA-N |
Product Overview
2-chloro-3-[(E)-(6,7-dichloro-1,3-dimethylquinoxalin-2-ylide (CAS 52736-81-9), with molecular formula C21H13Cl3N2O2 and molecular weight 430.00 g/mol. IUPAC: 2-chloro-3-[(6,7-dichloro-1,3-dimethylquinoxalin-2-ylidene)methyl]naphthalene-1,4-dione.
Chemical Property Profile of 2-chloro-3-[(E)-(6,7-dichloro-1,3-dimethylquinoxalin-2-ylide
Property Insights of 2-chloro-3-[(E)-(6,7-dichloro-1,3-dimethylquinoxalin-2-ylide
The XLogP value of 5.4 indicates that 2-chloro-3-[(E)-(6,7-dichloro-1,3-dimethylquinoxalin-2-ylide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, 2-chloro-3-[(E)-(6,7-dichloro-1,3-dimethylquinoxalin-2-ylide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-3-[(E)-(6,7-dichloro-1,3-dimethylquinoxalin-2-ylide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-chloro-3-[(E)-(6,7-dichloro-1,3-dimethylquinoxalin-2-ylide?
The CAS number of 2-chloro-3-[(E)-(6,7-dichloro-1,3-dimethylquinoxalin-2-ylide is 52736-81-9.
What is the molecular formula of 2-chloro-3-[(E)-(6,7-dichloro-1,3-dimethylquinoxalin-2-ylide?
The molecular formula of 2-chloro-3-[(E)-(6,7-dichloro-1,3-dimethylquinoxalin-2-ylide is C21H13Cl3N2O2.
What is the molecular weight of 2-chloro-3-[(E)-(6,7-dichloro-1,3-dimethylquinoxalin-2-ylide?
The molecular weight of 2-chloro-3-[(E)-(6,7-dichloro-1,3-dimethylquinoxalin-2-ylide is 430.00 g/mol.
Where can I buy 2-chloro-3-[(E)-(6,7-dichloro-1,3-dimethylquinoxalin-2-ylide?
You can request a quote for 2-chloro-3-[(E)-(6,7-dichloro-1,3-dimethylquinoxalin-2-ylide 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-[(E)-(6,7-dichloro-1,3-dimethylquinoxalin-2-ylide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-3-[(E)-(6,7-dichloro-1,3-dimethylquinoxalin-2-ylide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.