3-((1-Carboxylatoethenyl)oxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylate
TL;DR: 3-((1-Carboxylatoethenyl)oxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylate (CAS 55508-12-8) is a chemical compound with molecular formula C10H8O6-2 and molecular weight 224.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4R)-3-(1-carboxylatoethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylate
Also Known As: chorismate, chorismate(2-), chorismic acid, (3R,4R)-3-(1-carboxylatoethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylate, 2-[[(1beta)-2alpha-Hydroxy-5-carboxylato-3,5-cyclohexadienyl]oxy]acrylate
| Molecular Formula | C10H8O6-2 |
|---|---|
| Molecular Weight | 224.03 g/mol |
| LogP | -2.7578 |
| Topological Polar Surface Area | 109.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.03209 |
| Heavy Atoms | 16 |
| Complexity | 392.11343 |
Chemical Identifiers
| CAS Number | 55508-12-8 |
|---|---|
| SMILES | C=C(C(=O)[O-])O[C@@H]1C=C(C=C[C@H]1O)C(=O)[O-] |
Product Overview
3-((1-Carboxylatoethenyl)oxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylate (CAS 55508-12-8), with molecular formula C10H8O6-2 and molecular weight 224.03 g/mol. IUPAC: (3R,4R)-3-(1-carboxylatoethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylate.
Chemical Property Profile of 3-((1-Carboxylatoethenyl)oxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylate
Property Insights of 3-((1-Carboxylatoethenyl)oxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylate
The XLogP value of -2.7578 indicates that 3-((1-Carboxylatoethenyl)oxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((1-Carboxylatoethenyl)oxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylate. Following Lipinski's Rule of Five, 3-((1-Carboxylatoethenyl)oxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylate has 1 hydrogen bond donor(s) and 6 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-((1-Carboxylatoethenyl)oxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylate?
The CAS number of 3-((1-Carboxylatoethenyl)oxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylate is 55508-12-8.
What is the molecular formula of 3-((1-Carboxylatoethenyl)oxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylate?
The molecular formula of 3-((1-Carboxylatoethenyl)oxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylate is C10H8O6-2.
What is the molecular weight of 3-((1-Carboxylatoethenyl)oxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylate?
The molecular weight of 3-((1-Carboxylatoethenyl)oxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylate is 224.03 g/mol.
Where can I buy 3-((1-Carboxylatoethenyl)oxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylate?
You can request a quote for 3-((1-Carboxylatoethenyl)oxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((1-Carboxylatoethenyl)oxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-((1-Carboxylatoethenyl)oxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.