1,4,5,8-Tetrahydro-4a,8a-naphthalenedicarboxylic acid
TL;DR: 1,4,5,8-Tetrahydro-4a,8a-naphthalenedicarboxylic acid (CAS 79638-12-3) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,5,8-tetrahydronaphthalene-4a,8a-dicarboxylic acid
Also Known As: NCIOpen2_007015, 1,4,5,8-tetrahydronaphthalene-4a,8a-dicarboxylic acid, KST-1B8640, 1,4,5,8-Tetrahydro-4a,8a-naphthalenedicarboxylic acid, 4a,8a-Naphthalenedicarboxylic acid, 1,4,5,8-tetrahydro-
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 79638-12-3 |
|---|---|
| SMILES | C1C=CCC2(C1(CC=CC2)C(=O)O)C(=O)O |
| InChIKey | NXUJTEIDSOQKGW-UHFFFAOYSA-N |
Product Overview
1,4,5,8-Tetrahydro-4a,8a-naphthalenedicarboxylic acid (CAS 79638-12-3), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 1,4,5,8-tetrahydronaphthalene-4a,8a-dicarboxylic acid.
Chemical Property Profile of 1,4,5,8-Tetrahydro-4a,8a-naphthalenedicarboxylic acid
Property Insights of 1,4,5,8-Tetrahydro-4a,8a-naphthalenedicarboxylic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,5,8-Tetrahydro-4a,8a-naphthalenedicarboxylic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4,5,8-Tetrahydro-4a,8a-naphthalenedicarboxylic acid. Following Lipinski's Rule of Five, 1,4,5,8-Tetrahydro-4a,8a-naphthalenedicarboxylic acid 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 1,4,5,8-Tetrahydro-4a,8a-naphthalenedicarboxylic acid?
The CAS number of 1,4,5,8-Tetrahydro-4a,8a-naphthalenedicarboxylic acid is 79638-12-3.
What is the molecular formula of 1,4,5,8-Tetrahydro-4a,8a-naphthalenedicarboxylic acid?
The molecular formula of 1,4,5,8-Tetrahydro-4a,8a-naphthalenedicarboxylic acid is C12H14O4.
What is the molecular weight of 1,4,5,8-Tetrahydro-4a,8a-naphthalenedicarboxylic acid?
The molecular weight of 1,4,5,8-Tetrahydro-4a,8a-naphthalenedicarboxylic acid is 222.09 g/mol.
Where can I buy 1,4,5,8-Tetrahydro-4a,8a-naphthalenedicarboxylic acid?
You can request a quote for 1,4,5,8-Tetrahydro-4a,8a-naphthalenedicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,5,8-Tetrahydro-4a,8a-naphthalenedicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,4,5,8-Tetrahydro-4a,8a-naphthalenedicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.