1,4-Naphthalenedione, 6-chloro-2,3-dimethoxy-
TL;DR: 1,4-Naphthalenedione, 6-chloro-2,3-dimethoxy- (CAS 91037-30-8) 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.
6-chloro-2,3-dimethoxynaphthalene-1,4-dione
Also Known As: 1,4-Naphthalenedione, 6-chloro-2,3-dimethoxy-, 6-chloro-2,3-dimethoxy-1,4-naphthoquinone, 6-Chloro-2,3-dimethoxy-1,4-naphthalenedione, 6-chloro-2,3-dimethoxynaphthoquinone, 2,3-dimethoxy-6-chloro-1,4-naphthoquinone
| Molecular Formula | C12H9ClO4 |
|---|---|
| Molecular Weight | 252.02 g/mol |
| LogP | 2.2234 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.01894 |
| Heavy Atoms | 17 |
| Complexity | 545.43665 |
Chemical Identifiers
| CAS Number | 91037-30-8 |
|---|---|
| SMILES | COC1=C(C(=O)C2=C(C1=O)C=CC(=C2)Cl)OC |
Product Overview
1,4-Naphthalenedione, 6-chloro-2,3-dimethoxy- (CAS 91037-30-8), with molecular formula C12H9ClO4 and molecular weight 252.02 g/mol. IUPAC: 6-chloro-2,3-dimethoxynaphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthalenedione, 6-chloro-2,3-dimethoxy-
Property Insights of 1,4-Naphthalenedione, 6-chloro-2,3-dimethoxy-
The XLogP value of 2.2234 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Naphthalenedione, 6-chloro-2,3-dimethoxy-. With a topological polar surface area (TPSA) of 52.6 Ų, 1,4-Naphthalenedione, 6-chloro-2,3-dimethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 6-chloro-2,3-dimethoxy- 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 1,4-Naphthalenedione, 6-chloro-2,3-dimethoxy-?
The CAS number of 1,4-Naphthalenedione, 6-chloro-2,3-dimethoxy- is 91037-30-8.
What is the molecular formula of 1,4-Naphthalenedione, 6-chloro-2,3-dimethoxy-?
The molecular formula of 1,4-Naphthalenedione, 6-chloro-2,3-dimethoxy- is C12H9ClO4.
What is the molecular weight of 1,4-Naphthalenedione, 6-chloro-2,3-dimethoxy-?
The molecular weight of 1,4-Naphthalenedione, 6-chloro-2,3-dimethoxy- is 252.02 g/mol.
Where can I buy 1,4-Naphthalenedione, 6-chloro-2,3-dimethoxy-?
You can request a quote for 1,4-Naphthalenedione, 6-chloro-2,3-dimethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Naphthalenedione, 6-chloro-2,3-dimethoxy-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 6-chloro-2,3-dimethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.