1,4-Naphthoquinone, 2-chloro-3-(2-hydroxyethyl)-
TL;DR: 1,4-Naphthoquinone, 2-chloro-3-(2-hydroxyethyl)- (CAS 73816-83-8) is a chemical compound with molecular formula C12H9ClO3 and molecular weight 236.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-(2-hydroxyethyl)naphthalene-1,4-dione
Also Known As: 2-Chloro-3-(2-hydroxyethyl)-1,4-naphthoquinone, 2-chloro-3-(2-hydroxyethyl)naphthalene-1,4-dione, 1,4-NAPHTHOQUINONE, 2-CHLORO-3-(2-HYDROXYETHYL)-, 2-CHLORO-3- -1,4-NAPHTHOQUINONE, 1,4-Naphthalenedione, 2-chloro-3-(2-hydroxyethyl)-
| Molecular Formula | C12H9ClO3 |
|---|---|
| Molecular Weight | 236.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.02402 |
| Heavy Atoms | 16 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 73816-83-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)CCO |
| InChIKey | LTJOCZQFODMSNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Naphthoquinone, 2-chloro-3-(2-hydroxyethyl)- (CAS 73816-83-8), with molecular formula C12H9ClO3 and molecular weight 236.02 g/mol. IUPAC: 2-chloro-3-(2-hydroxyethyl)naphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthoquinone, 2-chloro-3-(2-hydroxyethyl)-
Property Insights of 1,4-Naphthoquinone, 2-chloro-3-(2-hydroxyethyl)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Naphthoquinone, 2-chloro-3-(2-hydroxyethyl)-. With a topological polar surface area (TPSA) of 54.4 Ų, 1,4-Naphthoquinone, 2-chloro-3-(2-hydroxyethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthoquinone, 2-chloro-3-(2-hydroxyethyl)- has 1 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-Naphthoquinone, 2-chloro-3-(2-hydroxyethyl)-?
The CAS number of 1,4-Naphthoquinone, 2-chloro-3-(2-hydroxyethyl)- is 73816-83-8.
What is the molecular formula of 1,4-Naphthoquinone, 2-chloro-3-(2-hydroxyethyl)-?
The molecular formula of 1,4-Naphthoquinone, 2-chloro-3-(2-hydroxyethyl)- is C12H9ClO3.
What is the molecular weight of 1,4-Naphthoquinone, 2-chloro-3-(2-hydroxyethyl)-?
The molecular weight of 1,4-Naphthoquinone, 2-chloro-3-(2-hydroxyethyl)- is 236.02 g/mol.
Where can I buy 1,4-Naphthoquinone, 2-chloro-3-(2-hydroxyethyl)-?
You can request a quote for 1,4-Naphthoquinone, 2-chloro-3-(2-hydroxyethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Naphthoquinone, 2-chloro-3-(2-hydroxyethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthoquinone, 2-chloro-3-(2-hydroxyethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.