1,1'-(2-Methyl-1,4-naphthalenediyl) dibutanoate
TL;DR: 1,1'-(2-Methyl-1,4-naphthalenediyl) dibutanoate (CAS 53370-44-8) is a chemical compound with molecular formula C19H22O4 and molecular weight 314.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-butanoyloxy-3-methylnaphthalen-1-yl) butanoate
Also Known As: Menadiol dibutyrate, Karanum, Karanum [German], Menadiol-dibutyrat, Karan
| Molecular Formula | C19H22O4 |
|---|---|
| Molecular Weight | 314.15 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 314.1518 |
| Heavy Atoms | 23 |
| Complexity | 406.0 |
| Melting Point | 53 °C |
Chemical Identifiers
| CAS Number | 53370-44-8 |
|---|---|
| SMILES | CCCC(=O)OC1=CC(=C(C2=CC=CC=C21)OC(=O)CCC)C |
| InChIKey | TUWJQNVAGYRRHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1'-(2-Methyl-1,4-naphthalenediyl) dibutanoate (CAS 53370-44-8), with molecular formula C19H22O4 and molecular weight 314.15 g/mol. IUPAC: (4-butanoyloxy-3-methylnaphthalen-1-yl) butanoate.
Chemical Property Profile of 1,1'-(2-Methyl-1,4-naphthalenediyl) dibutanoate
Property Insights of 1,1'-(2-Methyl-1,4-naphthalenediyl) dibutanoate
The XLogP value of 4.7 indicates that 1,1'-(2-Methyl-1,4-naphthalenediyl) dibutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,1'-(2-Methyl-1,4-naphthalenediyl) dibutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-(2-Methyl-1,4-naphthalenediyl) dibutanoate has 0 hydrogen bond donor(s) and 4 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 1,1'-(2-Methyl-1,4-naphthalenediyl) dibutanoate?
The CAS number of 1,1'-(2-Methyl-1,4-naphthalenediyl) dibutanoate is 53370-44-8.
What is the molecular formula of 1,1'-(2-Methyl-1,4-naphthalenediyl) dibutanoate?
The molecular formula of 1,1'-(2-Methyl-1,4-naphthalenediyl) dibutanoate is C19H22O4.
What is the molecular weight of 1,1'-(2-Methyl-1,4-naphthalenediyl) dibutanoate?
The molecular weight of 1,1'-(2-Methyl-1,4-naphthalenediyl) dibutanoate is 314.15 g/mol.
Where can I buy 1,1'-(2-Methyl-1,4-naphthalenediyl) dibutanoate?
You can request a quote for 1,1'-(2-Methyl-1,4-naphthalenediyl) dibutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(2-Methyl-1,4-naphthalenediyl) dibutanoate?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(2-Methyl-1,4-naphthalenediyl) dibutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.