1,4-Naphthalenedione, 5-methoxy-2-(3-methylbutyl)-
TL;DR: 1,4-Naphthalenedione, 5-methoxy-2-(3-methylbutyl)- (CAS 87625-52-3) is a chemical compound with molecular formula C16H18O3 and molecular weight 258.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-2-(3-methylbutyl)naphthalene-1,4-dione
Also Known As: 1,4-Naphthalenedione, 5-methoxy-2-(3-methylbutyl)-, 5-methoxy-2-(3-methylbutyl)naphthalene-1,4-dione, 1,4-Naphthalenedione,5-methoxy-2-(3-methylbutyl)
| Molecular Formula | C16H18O3 |
|---|---|
| Molecular Weight | 258.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.12558 |
| Heavy Atoms | 19 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 87625-52-3 |
|---|---|
| SMILES | CC(C)CCC1=CC(=O)C2=C(C1=O)C=CC=C2OC |
| InChIKey | HJWPKBDFOOCPNN-UHFFFAOYSA-N |
Product Overview
1,4-Naphthalenedione, 5-methoxy-2-(3-methylbutyl)- (CAS 87625-52-3), with molecular formula C16H18O3 and molecular weight 258.13 g/mol. IUPAC: 5-methoxy-2-(3-methylbutyl)naphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthalenedione, 5-methoxy-2-(3-methylbutyl)-
Property Insights of 1,4-Naphthalenedione, 5-methoxy-2-(3-methylbutyl)-
The XLogP value of 3.6 indicates that 1,4-Naphthalenedione, 5-methoxy-2-(3-methylbutyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 1,4-Naphthalenedione, 5-methoxy-2-(3-methylbutyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 5-methoxy-2-(3-methylbutyl)- has 0 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, 5-methoxy-2-(3-methylbutyl)-?
The CAS number of 1,4-Naphthalenedione, 5-methoxy-2-(3-methylbutyl)- is 87625-52-3.
What is the molecular formula of 1,4-Naphthalenedione, 5-methoxy-2-(3-methylbutyl)-?
The molecular formula of 1,4-Naphthalenedione, 5-methoxy-2-(3-methylbutyl)- is C16H18O3.
What is the molecular weight of 1,4-Naphthalenedione, 5-methoxy-2-(3-methylbutyl)-?
The molecular weight of 1,4-Naphthalenedione, 5-methoxy-2-(3-methylbutyl)- is 258.13 g/mol.
Where can I buy 1,4-Naphthalenedione, 5-methoxy-2-(3-methylbutyl)-?
You can request a quote for 1,4-Naphthalenedione, 5-methoxy-2-(3-methylbutyl)- 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, 5-methoxy-2-(3-methylbutyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 5-methoxy-2-(3-methylbutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.