2,3-Anhydro-quinic acid
TL;DR: 2,3-Anhydro-quinic acid (CAS 227002-11-1) is a chemical compound with molecular formula C7H10O5 and molecular weight 174.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4R,5R)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid
Also Known As: 2,3-Anhydro-quinic acid, 2,3-anhydroquinic acid, 1gu1, 1h0r, 2,3 -ANHYDRO-QUINIC ACID
| Molecular Formula | C7H10O5 |
|---|---|
| Molecular Weight | 174.05 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.05283 |
| Heavy Atoms | 12 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 227002-11-1 |
|---|---|
| SMILES | C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O |
| InChIKey | VTEDVYGIJPLVFF-XAHCXIQSSA-N |
Product Overview
2,3-Anhydro-quinic acid (CAS 227002-11-1), with molecular formula C7H10O5 and molecular weight 174.05 g/mol. IUPAC: (1R,4R,5R)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid.
Chemical Property Profile of 2,3-Anhydro-quinic acid
Property Insights of 2,3-Anhydro-quinic acid
The XLogP value of -1.5 indicates that 2,3-Anhydro-quinic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Anhydro-quinic acid. Following Lipinski's Rule of Five, 2,3-Anhydro-quinic acid has 4 hydrogen bond donor(s) and 5 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 2,3-Anhydro-quinic acid?
The CAS number of 2,3-Anhydro-quinic acid is 227002-11-1.
What is the molecular formula of 2,3-Anhydro-quinic acid?
The molecular formula of 2,3-Anhydro-quinic acid is C7H10O5.
What is the molecular weight of 2,3-Anhydro-quinic acid?
The molecular weight of 2,3-Anhydro-quinic acid is 174.05 g/mol.
Where can I buy 2,3-Anhydro-quinic acid?
You can request a quote for 2,3-Anhydro-quinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Anhydro-quinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Anhydro-quinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.