6,7-Dichloro-5,8-dimethoxy-1,4-naphthoquinone
TL;DR: 6,7-Dichloro-5,8-dimethoxy-1,4-naphthoquinone (CAS 51783-53-0) is a chemical compound with molecular formula C12H8Cl2O4 and molecular weight 285.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dichloro-5,8-dimethoxynaphthalene-1,4-dione
Also Known As: NCI60_019449, 1,4-naphthalenedione, 6,7-dichloro-5,8-dimethoxy-, 6,7-Dichloro-5,8-dimethoxy-1,4-naphthoquinone, 6,7-dichloro-5,8-dimethoxynaphthalene-1,4-dione, J1.079.444G
| Molecular Formula | C12H8Cl2O4 |
|---|---|
| Molecular Weight | 285.98 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.97995 |
| Heavy Atoms | 18 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 51783-53-0 |
|---|---|
| SMILES | COC1=C(C(=C(C2=C1C(=O)C=CC2=O)OC)Cl)Cl |
| InChIKey | FCDAWNBJZQLHPH-UHFFFAOYSA-N |
Product Overview
6,7-Dichloro-5,8-dimethoxy-1,4-naphthoquinone (CAS 51783-53-0), with molecular formula C12H8Cl2O4 and molecular weight 285.98 g/mol. IUPAC: 6,7-dichloro-5,8-dimethoxynaphthalene-1,4-dione.
Chemical Property Profile of 6,7-Dichloro-5,8-dimethoxy-1,4-naphthoquinone
Property Insights of 6,7-Dichloro-5,8-dimethoxy-1,4-naphthoquinone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Dichloro-5,8-dimethoxy-1,4-naphthoquinone. With a topological polar surface area (TPSA) of 52.6 Ų, 6,7-Dichloro-5,8-dimethoxy-1,4-naphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-Dichloro-5,8-dimethoxy-1,4-naphthoquinone 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 6,7-Dichloro-5,8-dimethoxy-1,4-naphthoquinone?
The CAS number of 6,7-Dichloro-5,8-dimethoxy-1,4-naphthoquinone is 51783-53-0.
What is the molecular formula of 6,7-Dichloro-5,8-dimethoxy-1,4-naphthoquinone?
The molecular formula of 6,7-Dichloro-5,8-dimethoxy-1,4-naphthoquinone is C12H8Cl2O4.
What is the molecular weight of 6,7-Dichloro-5,8-dimethoxy-1,4-naphthoquinone?
The molecular weight of 6,7-Dichloro-5,8-dimethoxy-1,4-naphthoquinone is 285.98 g/mol.
Where can I buy 6,7-Dichloro-5,8-dimethoxy-1,4-naphthoquinone?
You can request a quote for 6,7-Dichloro-5,8-dimethoxy-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 6,7-Dichloro-5,8-dimethoxy-1,4-naphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Dichloro-5,8-dimethoxy-1,4-naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.