Naphthalene-1,4,5,8-tetracarboxylic acid tetramethyl ester
TL;DR: Naphthalene-1,4,5,8-tetracarboxylic acid tetramethyl ester (CAS 31996-10-8) is a chemical compound with molecular formula C18H16O8 and molecular weight 360.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
Also Known As: tetramethyl naphthalene-1,4,5,8-tetracarboxylate, Tetramethyl 1,4,5,8-naphthalenetetracarboxylate, TimTec1_006863, QGAXWPQVFUUSGN-UHFFFAOYSA-, BAS 00295733
| Molecular Formula | C18H16O8 |
|---|---|
| Molecular Weight | 360.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 360.0845 |
| Heavy Atoms | 26 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 31996-10-8 |
|---|---|
| SMILES | COC(=O)C1=C2C(=CC=C(C2=C(C=C1)C(=O)OC)C(=O)OC)C(=O)OC |
| InChIKey | QGAXWPQVFUUSGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Naphthalene-1,4,5,8-tetracarboxylic acid tetramethyl ester (CAS 31996-10-8), with molecular formula C18H16O8 and molecular weight 360.08 g/mol. IUPAC: tetramethyl naphthalene-1,4,5,8-tetracarboxylate.
Chemical Property Profile of Naphthalene-1,4,5,8-tetracarboxylic acid tetramethyl ester
Property Insights of Naphthalene-1,4,5,8-tetracarboxylic acid tetramethyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Naphthalene-1,4,5,8-tetracarboxylic acid tetramethyl ester. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Naphthalene-1,4,5,8-tetracarboxylic acid tetramethyl ester. Following Lipinski's Rule of Five, Naphthalene-1,4,5,8-tetracarboxylic acid tetramethyl ester has 0 hydrogen bond donor(s) and 8 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 Naphthalene-1,4,5,8-tetracarboxylic acid tetramethyl ester?
The CAS number of Naphthalene-1,4,5,8-tetracarboxylic acid tetramethyl ester is 31996-10-8.
What is the molecular formula of Naphthalene-1,4,5,8-tetracarboxylic acid tetramethyl ester?
The molecular formula of Naphthalene-1,4,5,8-tetracarboxylic acid tetramethyl ester is C18H16O8.
What is the molecular weight of Naphthalene-1,4,5,8-tetracarboxylic acid tetramethyl ester?
The molecular weight of Naphthalene-1,4,5,8-tetracarboxylic acid tetramethyl ester is 360.08 g/mol.
Where can I buy Naphthalene-1,4,5,8-tetracarboxylic acid tetramethyl ester?
You can request a quote for Naphthalene-1,4,5,8-tetracarboxylic acid tetramethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphthalene-1,4,5,8-tetracarboxylic acid tetramethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Naphthalene-1,4,5,8-tetracarboxylic acid tetramethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.