2-Chloro-5,8-dihydroxy-6,7-dimethylnaphthalene-1,4-dione
TL;DR: 2-Chloro-5,8-dihydroxy-6,7-dimethylnaphthalene-1,4-dione (CAS 5223-34-7) is a chemical compound with molecular formula C12H9ClO4 and molecular weight 252.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5,8-dihydroxy-6,7-dimethylnaphthalene-1,4-dione
Also Known As: 1, 6-chloro-5,8-dihydroxy-2,3-dimethyl-, 2-chloro-5,8-dihydroxy-6,7-dimethylnaphthalene-1,4-dione
| Molecular Formula | C12H9ClO4 |
|---|---|
| Molecular Weight | 252.02 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 252.01894 |
| Heavy Atoms | 17 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 5223-34-7 |
|---|---|
| SMILES | CC1=C(C(=C2C(=C1O)C(=O)C=C(C2=O)Cl)O)C |
| InChIKey | HANFDOGUZLURKA-UHFFFAOYSA-N |
Product Overview
2-Chloro-5,8-dihydroxy-6,7-dimethylnaphthalene-1,4-dione (CAS 5223-34-7), with molecular formula C12H9ClO4 and molecular weight 252.02 g/mol. IUPAC: 2-chloro-5,8-dihydroxy-6,7-dimethylnaphthalene-1,4-dione.
Chemical Property Profile of 2-Chloro-5,8-dihydroxy-6,7-dimethylnaphthalene-1,4-dione
Property Insights of 2-Chloro-5,8-dihydroxy-6,7-dimethylnaphthalene-1,4-dione
The XLogP value of 3.4 indicates that 2-Chloro-5,8-dihydroxy-6,7-dimethylnaphthalene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-5,8-dihydroxy-6,7-dimethylnaphthalene-1,4-dione. Following Lipinski's Rule of Five, 2-Chloro-5,8-dihydroxy-6,7-dimethylnaphthalene-1,4-dione has 2 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-5,8-dihydroxy-6,7-dimethylnaphthalene-1,4-dione?
The CAS number of 2-Chloro-5,8-dihydroxy-6,7-dimethylnaphthalene-1,4-dione is 5223-34-7.
What is the molecular formula of 2-Chloro-5,8-dihydroxy-6,7-dimethylnaphthalene-1,4-dione?
The molecular formula of 2-Chloro-5,8-dihydroxy-6,7-dimethylnaphthalene-1,4-dione is C12H9ClO4.
What is the molecular weight of 2-Chloro-5,8-dihydroxy-6,7-dimethylnaphthalene-1,4-dione?
The molecular weight of 2-Chloro-5,8-dihydroxy-6,7-dimethylnaphthalene-1,4-dione is 252.02 g/mol.
Where can I buy 2-Chloro-5,8-dihydroxy-6,7-dimethylnaphthalene-1,4-dione?
You can request a quote for 2-Chloro-5,8-dihydroxy-6,7-dimethylnaphthalene-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-5,8-dihydroxy-6,7-dimethylnaphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5,8-dihydroxy-6,7-dimethylnaphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.