3-脱氢奎尼酸
TL;DR: 3-脱氢奎尼酸 (CAS 105735-92-0) is a chemical compound with molecular formula C7H10O6 and molecular weight 190.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-脱氢奎尼酸
(1R,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexane-1-carboxylic acid
Also Known As: 3-dehydroquinic acid, 5-dehydroquinic acid, 3-dehydroquinate, 5-dehydroquinate, dehydroquinic acid
| Molecular Formula | C7H10O6 |
|---|---|
| Molecular Weight | 190.05 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.04774 |
| Heavy Atoms | 13 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 105735-92-0 |
|---|---|
| SMILES | C1[C@H]([C@@H](C(=O)C[C@]1(C(=O)O)O)O)O |
| InChIKey | WVMWZWGZRAXUBK-SYTVJDICSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-脱氢奎尼酸 (CAS 105735-92-0), with molecular formula C7H10O6 and molecular weight 190.05 g/mol. IUPAC: (1R,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexane-1-carboxylic acid.
Chemical Property Profile of 3-脱氢奎尼酸
Property Insights of 3-脱氢奎尼酸
The XLogP value of -2.4 indicates that 3-脱氢奎尼酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-脱氢奎尼酸. Following Lipinski's Rule of Five, 3-脱氢奎尼酸 has 4 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-脱氢奎尼酸?
The CAS number of 3-脱氢奎尼酸 is 105735-92-0.
What is the molecular formula of 3-脱氢奎尼酸?
The molecular formula of 3-脱氢奎尼酸 is C7H10O6.
What is the molecular weight of 3-脱氢奎尼酸?
The molecular weight of 3-脱氢奎尼酸 is 190.05 g/mol.
Where can I buy 3-脱氢奎尼酸?
You can request a quote for 3-脱氢奎尼酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-脱氢奎尼酸?
Yes, KEHONG BIO provides custom synthesis services for 3-脱氢奎尼酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.