1,4-Naphthalenedione, 2-methoxy-3-(3-methyl-2-butenyl)-
TL;DR: 1,4-Naphthalenedione, 2-methoxy-3-(3-methyl-2-butenyl)- (CAS 17241-45-1) is a chemical compound with molecular formula C16H16O3 and molecular weight 256.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-3-(3-methylbut-2-enyl)naphthalene-1,4-dione
Also Known As: Lapachol methyl ether, Lapachol methylether, 2-methoxy-3-prenylnaphthoquinone, KST-1B1007, 1,4-Naphthalenedione, 2-methoxy-3-(3-methyl-2-butenyl)-
| Molecular Formula | C16H16O3 |
|---|---|
| Molecular Weight | 256.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.10995 |
| Heavy Atoms | 19 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 17241-45-1 |
|---|---|
| SMILES | CC(=CCC1=C(C(=O)C2=CC=CC=C2C1=O)OC)C |
| InChIKey | NHTTYMNGELRKMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Naphthalenedione, 2-methoxy-3-(3-methyl-2-butenyl)- (CAS 17241-45-1), with molecular formula C16H16O3 and molecular weight 256.11 g/mol. IUPAC: 2-methoxy-3-(3-methylbut-2-enyl)naphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthalenedione, 2-methoxy-3-(3-methyl-2-butenyl)-
Property Insights of 1,4-Naphthalenedione, 2-methoxy-3-(3-methyl-2-butenyl)-
The XLogP value of 3.7 indicates that 1,4-Naphthalenedione, 2-methoxy-3-(3-methyl-2-butenyl)- 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, 2-methoxy-3-(3-methyl-2-butenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 2-methoxy-3-(3-methyl-2-butenyl)- 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, 2-methoxy-3-(3-methyl-2-butenyl)-?
The CAS number of 1,4-Naphthalenedione, 2-methoxy-3-(3-methyl-2-butenyl)- is 17241-45-1.
What is the molecular formula of 1,4-Naphthalenedione, 2-methoxy-3-(3-methyl-2-butenyl)-?
The molecular formula of 1,4-Naphthalenedione, 2-methoxy-3-(3-methyl-2-butenyl)- is C16H16O3.
What is the molecular weight of 1,4-Naphthalenedione, 2-methoxy-3-(3-methyl-2-butenyl)-?
The molecular weight of 1,4-Naphthalenedione, 2-methoxy-3-(3-methyl-2-butenyl)- is 256.11 g/mol.
Where can I buy 1,4-Naphthalenedione, 2-methoxy-3-(3-methyl-2-butenyl)-?
You can request a quote for 1,4-Naphthalenedione, 2-methoxy-3-(3-methyl-2-butenyl)- 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-methoxy-3-(3-methyl-2-butenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 2-methoxy-3-(3-methyl-2-butenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.