3-(1-Carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid
TL;DR: 3-(1-Carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid (CAS 617-12-9) is a chemical compound with molecular formula C10H10O6 and molecular weight 226.04774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1-carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid
Also Known As: chorismic acid, 5-Amino-4-chloro-3-methylisoxazole, a-(5-carboxy-1,2-dihydro-2-hydroxyphenoxy)acrylic acid, (3R,4R)-3-(1-carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid, 4-hydroxy-3-(3-hydroxy-3-oxoprop-1-en-2-yl)oxycyclohexa-1,5-diene-1-carboxylic acid
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H10O6 |
| Molecular Weight | 226.04774 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.04774 Da |
| Heavy Atoms | 16 |
| Complexity | 392.0 |
| SMILES | C=C(C(=O)O)OC1C=C(C=CC1O)C(=O)O |
| InChIKey | WTFXTQVDAKGDEY-UHFFFAOYSA-N |
Product Description
Applications: 3-(1-Carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid is used in biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-(1-Carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid (CAS 617-12-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A biotechnology compound supplied by CoreyChem, 3-(1-Carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid (CAS 617-12-9) has the molecular formula C10H10O6 and a molecular weight of 226.05 g/mol. It is also known as chorismic acid and 5-Amino-4-chloro-3-methylisoxazole.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-(1-Carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid
Property Insights of 3-(1-Carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-Carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid. Following Lipinski's Rule of Five, 3-(1-Carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(1-Carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid?
The CAS number of 3-(1-Carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid is 617-12-9.
What is the molecular formula of 3-(1-Carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid?
The molecular formula of 3-(1-Carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid is C10H10O6.
What is the molecular weight of 3-(1-Carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid?
The molecular weight of 3-(1-Carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid is 226.04774 g/mol.
What are the applications of 3-(1-Carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid?
3-(1-Carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid is used in biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-(1-Carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid (CAS...
Where can I buy 3-(1-Carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid?
You can request a quote for 3-(1-Carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1-Carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3-(1-Carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.