1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-
TL;DR: 1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro- (CAS 91963-78-9) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4-tetrahydronaphthalene-1,4-dicarboxylic acid
Also Known As: 1,2,3,4-tetrahydronaphthalene-1,4-dicarboxylic acid, 1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-, 1,2,3,4-tetrahydro-1,4-naphthalenedicarboxylic acid
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 91963-78-9 |
|---|---|
| SMILES | C1CC(C2=CC=CC=C2C1C(=O)O)C(=O)O |
| InChIKey | WDFBLFTVCQEYEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro- (CAS 91963-78-9), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: 1,2,3,4-tetrahydronaphthalene-1,4-dicarboxylic acid.
Chemical Property Profile of 1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-
Property Insights of 1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-. Following Lipinski's Rule of Five, 1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro- has 2 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 1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-?
The CAS number of 1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro- is 91963-78-9.
What is the molecular formula of 1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-?
The molecular formula of 1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro- is C12H12O4.
What is the molecular weight of 1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-?
The molecular weight of 1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro- is 220.07 g/mol.
Where can I buy 1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-?
You can request a quote for 1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.