1,4-Naphthalenedione, 2-ethyl-3-hydroxy-
TL;DR: 1,4-Naphthalenedione, 2-ethyl-3-hydroxy- (CAS 29366-44-7) is a chemical compound with molecular formula C12H10O3 and molecular weight 202.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-4-hydroxynaphthalene-1,2-dione
Also Known As: 1,4-Naphthalenedione, 2-ethyl-3-hydroxy-, 1, 2-ethyl-3-hydroxy-, 3-ethyl-4-hydroxynaphthalene-1,2-dione, 2-Ethyl-3-hydroxynaphthoquinone, 2-Ethyl-3-hydroxynaphthoquinone #
| Molecular Formula | C12H10O3 |
|---|---|
| Molecular Weight | 202.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.06299 |
| Heavy Atoms | 15 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 29366-44-7 |
|---|---|
| SMILES | CCC1=C(C2=CC=CC=C2C(=O)C1=O)O |
| InChIKey | AGMHLCPUXIMBGJ-UHFFFAOYSA-N |
Product Overview
1,4-Naphthalenedione, 2-ethyl-3-hydroxy- (CAS 29366-44-7), with molecular formula C12H10O3 and molecular weight 202.06 g/mol. IUPAC: 3-ethyl-4-hydroxynaphthalene-1,2-dione.
Chemical Property Profile of 1,4-Naphthalenedione, 2-ethyl-3-hydroxy-
Property Insights of 1,4-Naphthalenedione, 2-ethyl-3-hydroxy-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Naphthalenedione, 2-ethyl-3-hydroxy-. With a topological polar surface area (TPSA) of 54.4 Ų, 1,4-Naphthalenedione, 2-ethyl-3-hydroxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 2-ethyl-3-hydroxy- 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-Naphthalenedione, 2-ethyl-3-hydroxy-?
The CAS number of 1,4-Naphthalenedione, 2-ethyl-3-hydroxy- is 29366-44-7.
What is the molecular formula of 1,4-Naphthalenedione, 2-ethyl-3-hydroxy-?
The molecular formula of 1,4-Naphthalenedione, 2-ethyl-3-hydroxy- is C12H10O3.
What is the molecular weight of 1,4-Naphthalenedione, 2-ethyl-3-hydroxy-?
The molecular weight of 1,4-Naphthalenedione, 2-ethyl-3-hydroxy- is 202.06 g/mol.
Where can I buy 1,4-Naphthalenedione, 2-ethyl-3-hydroxy-?
You can request a quote for 1,4-Naphthalenedione, 2-ethyl-3-hydroxy- 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-ethyl-3-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 2-ethyl-3-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.