1,4-Naphthalenedione, 2-heptyl-
TL;DR: 1,4-Naphthalenedione, 2-heptyl- (CAS 41245-45-8) is a chemical compound with molecular formula C17H20O2 and molecular weight 256.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-heptylnaphthalene-1,4-dione
Also Known As: 2-Heptyl-1,4-naphthalenedione, 1,4-Naphthalenedione, 2-heptyl-, 2-heptylnaphthalene-1,4-dione, 2-Heptyl-1,4-naphthoquinone, 2-heptyl-1,4-dihydronaphthalene-1,4-dione
| Molecular Formula | C17H20O2 |
|---|---|
| Molecular Weight | 256.15 g/mol |
| LogP | 4.3525 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 256.14633 |
| Heavy Atoms | 19 |
| Complexity | 511.7483 |
Chemical Identifiers
| CAS Number | 41245-45-8 |
|---|---|
| SMILES | CCCCCCCC1=CC(=O)C2=CC=CC=C2C1=O |
Product Overview
1,4-Naphthalenedione, 2-heptyl- (CAS 41245-45-8), with molecular formula C17H20O2 and molecular weight 256.15 g/mol. IUPAC: 2-heptylnaphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthalenedione, 2-heptyl-
Property Insights of 1,4-Naphthalenedione, 2-heptyl-
The XLogP value of 4.3525 indicates that 1,4-Naphthalenedione, 2-heptyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 1,4-Naphthalenedione, 2-heptyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 2-heptyl- 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 1,4-Naphthalenedione, 2-heptyl-?
The CAS number of 1,4-Naphthalenedione, 2-heptyl- is 41245-45-8.
What is the molecular formula of 1,4-Naphthalenedione, 2-heptyl-?
The molecular formula of 1,4-Naphthalenedione, 2-heptyl- is C17H20O2.
What is the molecular weight of 1,4-Naphthalenedione, 2-heptyl-?
The molecular weight of 1,4-Naphthalenedione, 2-heptyl- is 256.15 g/mol.
Where can I buy 1,4-Naphthalenedione, 2-heptyl-?
You can request a quote for 1,4-Naphthalenedione, 2-heptyl- 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-heptyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 2-heptyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.