1,4-Naphthalenedione, 2-hydroxy-3-pentyl-
TL;DR: 1,4-Naphthalenedione, 2-hydroxy-3-pentyl- (CAS 41245-53-8) is a chemical compound with molecular formula C15H16O3 and molecular weight 244.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-pentylnaphthalene-1,2-dione
Also Known As: 2-Hydroxy-3-pentylnaphthoquinone, 4-hydroxy-3-pentylnaphthalene-1,2-dione, 1,4-Naphthalenedione, 2-hydroxy-3-pentyl-, 2-Hydroxy-3-pentyl-1,4-naphthoquinone, 3-Hydroxy-2-pentyl-1,4-naphthoquinone
| Molecular Formula | C15H16O3 |
|---|---|
| Molecular Weight | 244.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.10994 |
| Heavy Atoms | 18 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 41245-53-8 |
|---|---|
| SMILES | CCCCCC1=C(C2=CC=CC=C2C(=O)C1=O)O |
| InChIKey | ZUNQUTHYWNTGHA-UHFFFAOYSA-N |
Product Overview
1,4-Naphthalenedione, 2-hydroxy-3-pentyl- (CAS 41245-53-8), with molecular formula C15H16O3 and molecular weight 244.11 g/mol. IUPAC: 4-hydroxy-3-pentylnaphthalene-1,2-dione.
Chemical Property Profile of 1,4-Naphthalenedione, 2-hydroxy-3-pentyl-
Property Insights of 1,4-Naphthalenedione, 2-hydroxy-3-pentyl-
The XLogP value of 3.3 indicates that 1,4-Naphthalenedione, 2-hydroxy-3-pentyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 1,4-Naphthalenedione, 2-hydroxy-3-pentyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 2-hydroxy-3-pentyl- 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-hydroxy-3-pentyl-?
The CAS number of 1,4-Naphthalenedione, 2-hydroxy-3-pentyl- is 41245-53-8.
What is the molecular formula of 1,4-Naphthalenedione, 2-hydroxy-3-pentyl-?
The molecular formula of 1,4-Naphthalenedione, 2-hydroxy-3-pentyl- is C15H16O3.
What is the molecular weight of 1,4-Naphthalenedione, 2-hydroxy-3-pentyl-?
The molecular weight of 1,4-Naphthalenedione, 2-hydroxy-3-pentyl- is 244.11 g/mol.
Where can I buy 1,4-Naphthalenedione, 2-hydroxy-3-pentyl-?
You can request a quote for 1,4-Naphthalenedione, 2-hydroxy-3-pentyl- 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-hydroxy-3-pentyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 2-hydroxy-3-pentyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.