2-Chloro-3-methylnaphthoquinone
TL;DR: 2-Chloro-3-methylnaphthoquinone (CAS 17015-99-5) is a chemical compound with molecular formula C11H7ClO2 and molecular weight 206.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-methylnaphthalene-1,4-dione
Also Known As: 2-Chloro-3-methylnaphthoquinone, 2-Chloro-3-methyl-1,4-naphthoquinone, 2-chloro-3-methylnaphthalene-1,4-dione, 3-Chloro-2-methyl-1,4-naphthoquinone, 1,4-Naphthalenedione, 2-chloro-3-methyl-
| Molecular Formula | C11H7ClO2 |
|---|---|
| Molecular Weight | 206.01 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.01346 |
| Heavy Atoms | 14 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 17015-99-5 |
|---|---|
| SMILES | CC1=C(C(=O)C2=CC=CC=C2C1=O)Cl |
| InChIKey | WYIOQBYLZGEHCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-3-methylnaphthoquinone (CAS 17015-99-5), with molecular formula C11H7ClO2 and molecular weight 206.01 g/mol. IUPAC: 2-chloro-3-methylnaphthalene-1,4-dione.
Chemical Property Profile of 2-Chloro-3-methylnaphthoquinone
Property Insights of 2-Chloro-3-methylnaphthoquinone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3-methylnaphthoquinone. With a topological polar surface area (TPSA) of 34.1 Ų, 2-Chloro-3-methylnaphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-methylnaphthoquinone has 0 hydrogen bond donor(s) and 2 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-3-methylnaphthoquinone?
The CAS number of 2-Chloro-3-methylnaphthoquinone is 17015-99-5.
What is the molecular formula of 2-Chloro-3-methylnaphthoquinone?
The molecular formula of 2-Chloro-3-methylnaphthoquinone is C11H7ClO2.
What is the molecular weight of 2-Chloro-3-methylnaphthoquinone?
The molecular weight of 2-Chloro-3-methylnaphthoquinone is 206.01 g/mol.
Where can I buy 2-Chloro-3-methylnaphthoquinone?
You can request a quote for 2-Chloro-3-methylnaphthoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3-methylnaphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-methylnaphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.