2,3-Dichloro-1,4,5,8-naphthalenetetrone
TL;DR: 2,3-Dichloro-1,4,5,8-naphthalenetetrone (CAS 78456-63-0) is a chemical compound with molecular formula C10H2Cl2O4 and molecular weight 255.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dichloronaphthalene-1,4,5,8-tetrone
Also Known As: Paidipyrin, 2,3-Dichloro-1,4,5,8-naphthalenetetrone, 2,3-dichloronaphthalene-1,4,5,8-tetrone, 2,3-dichloro-1,4,5,8-naphthodiquinone, 2,3-Dichloronaphthalene-1,4,5,8-tetraone
| Molecular Formula | C10H2Cl2O4 |
|---|---|
| Molecular Weight | 255.93 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 255.93301 |
| Heavy Atoms | 16 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 78456-63-0 |
|---|---|
| SMILES | C1=CC(=O)C2=C(C1=O)C(=O)C(=C(C2=O)Cl)Cl |
| InChIKey | JCGZOXQVXZJDSW-UHFFFAOYSA-N |
Product Overview
2,3-Dichloro-1,4,5,8-naphthalenetetrone (CAS 78456-63-0), with molecular formula C10H2Cl2O4 and molecular weight 255.93 g/mol. IUPAC: 2,3-dichloronaphthalene-1,4,5,8-tetrone.
Chemical Property Profile of 2,3-Dichloro-1,4,5,8-naphthalenetetrone
Property Insights of 2,3-Dichloro-1,4,5,8-naphthalenetetrone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dichloro-1,4,5,8-naphthalenetetrone. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dichloro-1,4,5,8-naphthalenetetrone. Following Lipinski's Rule of Five, 2,3-Dichloro-1,4,5,8-naphthalenetetrone has 0 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 2,3-Dichloro-1,4,5,8-naphthalenetetrone?
The CAS number of 2,3-Dichloro-1,4,5,8-naphthalenetetrone is 78456-63-0.
What is the molecular formula of 2,3-Dichloro-1,4,5,8-naphthalenetetrone?
The molecular formula of 2,3-Dichloro-1,4,5,8-naphthalenetetrone is C10H2Cl2O4.
What is the molecular weight of 2,3-Dichloro-1,4,5,8-naphthalenetetrone?
The molecular weight of 2,3-Dichloro-1,4,5,8-naphthalenetetrone is 255.93 g/mol.
Where can I buy 2,3-Dichloro-1,4,5,8-naphthalenetetrone?
You can request a quote for 2,3-Dichloro-1,4,5,8-naphthalenetetrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dichloro-1,4,5,8-naphthalenetetrone?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dichloro-1,4,5,8-naphthalenetetrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.