3,7-Ditert-butylnaphthalene-1,5-dicarboxylic acid
TL;DR: 3,7-Ditert-butylnaphthalene-1,5-dicarboxylic acid (CAS 20870-41-1) is a chemical compound with molecular formula C20H24O4 and molecular weight 328.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-ditert-butylnaphthalene-1,5-dicarboxylic acid
Also Known As: BAS 00789177, 3,7-ditert-butylnaphthalene-1,5-dicarboxylic acid, 3,7-ditert-butyl-1,5-naphthalenedicarboxylic acid, 3,7-Di-tert-butyl-naphthalene-1,5-dicarboxylic acid, 3,7-DI-TERT-BUTYLNAPHTHALENE-1,5-DICARBOXYLIC ACID
| Molecular Formula | C20H24O4 |
|---|---|
| Molecular Weight | 328.17 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.16745 |
| Heavy Atoms | 24 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 20870-41-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C(C=C2C(=O)O)C(C)(C)C)C(=C1)C(=O)O |
| InChIKey | MEQDQUOVXTZEBZ-UHFFFAOYSA-N |
Product Overview
3,7-Ditert-butylnaphthalene-1,5-dicarboxylic acid (CAS 20870-41-1), with molecular formula C20H24O4 and molecular weight 328.17 g/mol. IUPAC: 3,7-ditert-butylnaphthalene-1,5-dicarboxylic acid.
Chemical Property Profile of 3,7-Ditert-butylnaphthalene-1,5-dicarboxylic acid
Property Insights of 3,7-Ditert-butylnaphthalene-1,5-dicarboxylic acid
The XLogP value of 5.6 indicates that 3,7-Ditert-butylnaphthalene-1,5-dicarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Ditert-butylnaphthalene-1,5-dicarboxylic acid. Following Lipinski's Rule of Five, 3,7-Ditert-butylnaphthalene-1,5-dicarboxylic acid has 2 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 3,7-Ditert-butylnaphthalene-1,5-dicarboxylic acid?
The CAS number of 3,7-Ditert-butylnaphthalene-1,5-dicarboxylic acid is 20870-41-1.
What is the molecular formula of 3,7-Ditert-butylnaphthalene-1,5-dicarboxylic acid?
The molecular formula of 3,7-Ditert-butylnaphthalene-1,5-dicarboxylic acid is C20H24O4.
What is the molecular weight of 3,7-Ditert-butylnaphthalene-1,5-dicarboxylic acid?
The molecular weight of 3,7-Ditert-butylnaphthalene-1,5-dicarboxylic acid is 328.17 g/mol.
Where can I buy 3,7-Ditert-butylnaphthalene-1,5-dicarboxylic acid?
You can request a quote for 3,7-Ditert-butylnaphthalene-1,5-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Ditert-butylnaphthalene-1,5-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Ditert-butylnaphthalene-1,5-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.