3,5,7-Cycloheptatriene-1,3-dicarboxylic acid
TL;DR: 3,5,7-Cycloheptatriene-1,3-dicarboxylic acid (CAS 73875-01-1) is a chemical compound with molecular formula C9H8O4 and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohepta-3,5,7-triene-1,3-dicarboxylic acid
Also Known As: Cycloheptatrien-1,6-dicarbonsaeure, 3,5,7-Cycloheptatriene-1,3-dicarboxylic acid, cyclohepta-3,5,7-triene-1,3-dicarboxylic acid, 1,3,5-Cycloheptatriene-1,6-dicarboxylic acid, cyclohepta-1(7),3,5-triene-1,3-dicarboxylic acid
| Molecular Formula | C9H8O4 |
|---|---|
| Molecular Weight | 180.04 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 | 180.04225 |
| Heavy Atoms | 13 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 73875-01-1 |
|---|---|
| SMILES | C1C(=CC=CC=C1C(=O)O)C(=O)O |
| InChIKey | PNWFJKSGFMUYFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5,7-Cycloheptatriene-1,3-dicarboxylic acid (CAS 73875-01-1), with molecular formula C9H8O4 and molecular weight 180.04 g/mol. IUPAC: cyclohepta-3,5,7-triene-1,3-dicarboxylic acid.
Chemical Property Profile of 3,5,7-Cycloheptatriene-1,3-dicarboxylic acid
Property Insights of 3,5,7-Cycloheptatriene-1,3-dicarboxylic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5,7-Cycloheptatriene-1,3-dicarboxylic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5,7-Cycloheptatriene-1,3-dicarboxylic acid. Following Lipinski's Rule of Five, 3,5,7-Cycloheptatriene-1,3-dicarboxylic 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 3,5,7-Cycloheptatriene-1,3-dicarboxylic acid?
The CAS number of 3,5,7-Cycloheptatriene-1,3-dicarboxylic acid is 73875-01-1.
What is the molecular formula of 3,5,7-Cycloheptatriene-1,3-dicarboxylic acid?
The molecular formula of 3,5,7-Cycloheptatriene-1,3-dicarboxylic acid is C9H8O4.
What is the molecular weight of 3,5,7-Cycloheptatriene-1,3-dicarboxylic acid?
The molecular weight of 3,5,7-Cycloheptatriene-1,3-dicarboxylic acid is 180.04 g/mol.
Where can I buy 3,5,7-Cycloheptatriene-1,3-dicarboxylic acid?
You can request a quote for 3,5,7-Cycloheptatriene-1,3-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,7-Cycloheptatriene-1,3-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5,7-Cycloheptatriene-1,3-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.