2,5,8-Trihydroxy-6,7-dichloro3-ethyl-1,4-naphthoquinone
TL;DR: 2,5,8-Trihydroxy-6,7-dichloro3-ethyl-1,4-naphthoquinone (CAS 187149-22-0) is a chemical compound with molecular formula C12H8Cl2O5 and molecular weight 301.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dichloro-3-ethyl-4,5,8-trihydroxynaphthalene-1,2-dione
Also Known As: J2.278.613J, J2.362.465F, 2,5,8-trihydroxy-6,7-dichloro-3-ethyl-1,4-naphthoquinone, 2,3-Dichloro-5,6,8-trihydroxy-7-ethyl-1,4-naphthoquinone, 2,5,8-trihydroxy-6,7-dichloro3-ethyl-1,4-naphthoquinone
| Molecular Formula | C12H8Cl2O5 |
|---|---|
| Molecular Weight | 301.97 g/mol |
| LogP | 2.8491 |
| Topological Polar Surface Area | 94.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 301.97488 |
| Heavy Atoms | 19 |
| Complexity | 660.819 |
Chemical Identifiers
| CAS Number | 187149-22-0 |
|---|---|
| SMILES | CCC1=C(C2=C(C(=C(C(=C2O)Cl)Cl)O)C(=O)C1=O)O |
Product Overview
2,5,8-Trihydroxy-6,7-dichloro3-ethyl-1,4-naphthoquinone (CAS 187149-22-0), with molecular formula C12H8Cl2O5 and molecular weight 301.97 g/mol. IUPAC: 6,7-dichloro-3-ethyl-4,5,8-trihydroxynaphthalene-1,2-dione.
Chemical Property Profile of 2,5,8-Trihydroxy-6,7-dichloro3-ethyl-1,4-naphthoquinone
Property Insights of 2,5,8-Trihydroxy-6,7-dichloro3-ethyl-1,4-naphthoquinone
The XLogP value of 2.8491 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5,8-Trihydroxy-6,7-dichloro3-ethyl-1,4-naphthoquinone. The TPSA of 94.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5,8-Trihydroxy-6,7-dichloro3-ethyl-1,4-naphthoquinone. Following Lipinski's Rule of Five, 2,5,8-Trihydroxy-6,7-dichloro3-ethyl-1,4-naphthoquinone has 3 hydrogen bond donor(s) and 5 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 2,5,8-Trihydroxy-6,7-dichloro3-ethyl-1,4-naphthoquinone?
The CAS number of 2,5,8-Trihydroxy-6,7-dichloro3-ethyl-1,4-naphthoquinone is 187149-22-0.
What is the molecular formula of 2,5,8-Trihydroxy-6,7-dichloro3-ethyl-1,4-naphthoquinone?
The molecular formula of 2,5,8-Trihydroxy-6,7-dichloro3-ethyl-1,4-naphthoquinone is C12H8Cl2O5.
What is the molecular weight of 2,5,8-Trihydroxy-6,7-dichloro3-ethyl-1,4-naphthoquinone?
The molecular weight of 2,5,8-Trihydroxy-6,7-dichloro3-ethyl-1,4-naphthoquinone is 301.97 g/mol.
Where can I buy 2,5,8-Trihydroxy-6,7-dichloro3-ethyl-1,4-naphthoquinone?
You can request a quote for 2,5,8-Trihydroxy-6,7-dichloro3-ethyl-1,4-naphthoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5,8-Trihydroxy-6,7-dichloro3-ethyl-1,4-naphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2,5,8-Trihydroxy-6,7-dichloro3-ethyl-1,4-naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.