2-methyl-3-1,4-naphthalenedioldiacetate
TL;DR: 2-methyl-3-1,4-naphthalenedioldiacetate (CAS 56298-82-9) is a chemical compound with molecular formula C30H38O4 and molecular weight 462.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-acetyloxy-2-methyl-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)naphthalen-1-yl] acetate
Also Known As: 2-methyl-3-1,4-naphthalenedioldiacetate
| Molecular Formula | C30H38O4 |
|---|---|
| Molecular Weight | 462.28 g/mol |
| LogP | 8.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 462.277 |
| Heavy Atoms | 34 |
| Complexity | 771.0 |
Chemical Identifiers
| CAS Number | 56298-82-9 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2C(=C1CC=C(C)CCC=C(C)CCC=C(C)C)OC(=O)C)OC(=O)C |
| InChIKey | LQOXSTKPVFKMOB-UHFFFAOYSA-N |
Product Overview
2-methyl-3-1,4-naphthalenedioldiacetate (CAS 56298-82-9), with molecular formula C30H38O4 and molecular weight 462.28 g/mol. IUPAC: [4-acetyloxy-2-methyl-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)naphthalen-1-yl] acetate.
Chemical Property Profile of 2-methyl-3-1,4-naphthalenedioldiacetate
Property Insights of 2-methyl-3-1,4-naphthalenedioldiacetate
The XLogP value of 8.7 indicates that 2-methyl-3-1,4-naphthalenedioldiacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-methyl-3-1,4-naphthalenedioldiacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-3-1,4-naphthalenedioldiacetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-methyl-3-1,4-naphthalenedioldiacetate?
The CAS number of 2-methyl-3-1,4-naphthalenedioldiacetate is 56298-82-9.
What is the molecular formula of 2-methyl-3-1,4-naphthalenedioldiacetate?
The molecular formula of 2-methyl-3-1,4-naphthalenedioldiacetate is C30H38O4.
What is the molecular weight of 2-methyl-3-1,4-naphthalenedioldiacetate?
The molecular weight of 2-methyl-3-1,4-naphthalenedioldiacetate is 462.28 g/mol.
Where can I buy 2-methyl-3-1,4-naphthalenedioldiacetate?
You can request a quote for 2-methyl-3-1,4-naphthalenedioldiacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-3-1,4-naphthalenedioldiacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-3-1,4-naphthalenedioldiacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.