1,4-Naphthalenedione, 2-chloro-3-(1-methylethoxy)-
TL;DR: 1,4-Naphthalenedione, 2-chloro-3-(1-methylethoxy)- (CAS 67746-66-1) is a chemical compound with molecular formula C13H11ClO3 and molecular weight 250.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-propan-2-yloxynaphthalene-1,4-dione
Also Known As: 1,4-Naphthalenedione, 2-chloro-3-(1-methylethoxy)-, 2-chloro-3-propan-2-yloxynaphthalene-1,4-dione, BIM-0020559.P001, 2-CHLORO-3-ISOPROPOXYNAPHTHALENE-1,4-DIONE, 2-Chloro-3-[(propan-2-yl)oxy]naphthalene-1,4-dione
| Molecular Formula | C13H11ClO3 |
|---|---|
| Molecular Weight | 250.04 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.03967 |
| Heavy Atoms | 17 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 67746-66-1 |
|---|---|
| SMILES | CC(C)OC1=C(C(=O)C2=CC=CC=C2C1=O)Cl |
| InChIKey | QKRFTDNUEHPOJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Naphthalenedione, 2-chloro-3-(1-methylethoxy)- (CAS 67746-66-1), with molecular formula C13H11ClO3 and molecular weight 250.04 g/mol. IUPAC: 2-chloro-3-propan-2-yloxynaphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthalenedione, 2-chloro-3-(1-methylethoxy)-
Property Insights of 1,4-Naphthalenedione, 2-chloro-3-(1-methylethoxy)-
The XLogP value of 3.5 indicates that 1,4-Naphthalenedione, 2-chloro-3-(1-methylethoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 1,4-Naphthalenedione, 2-chloro-3-(1-methylethoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 2-chloro-3-(1-methylethoxy)- has 0 hydrogen bond donor(s) and 3 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, 2-chloro-3-(1-methylethoxy)-?
The CAS number of 1,4-Naphthalenedione, 2-chloro-3-(1-methylethoxy)- is 67746-66-1.
What is the molecular formula of 1,4-Naphthalenedione, 2-chloro-3-(1-methylethoxy)-?
The molecular formula of 1,4-Naphthalenedione, 2-chloro-3-(1-methylethoxy)- is C13H11ClO3.
What is the molecular weight of 1,4-Naphthalenedione, 2-chloro-3-(1-methylethoxy)-?
The molecular weight of 1,4-Naphthalenedione, 2-chloro-3-(1-methylethoxy)- is 250.04 g/mol.
Where can I buy 1,4-Naphthalenedione, 2-chloro-3-(1-methylethoxy)-?
You can request a quote for 1,4-Naphthalenedione, 2-chloro-3-(1-methylethoxy)- 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, 2-chloro-3-(1-methylethoxy)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 2-chloro-3-(1-methylethoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.