3,4,5-三羟基-1-环己烯-1-甲酸
TL;DR: 3,4,5-三羟基-1-环己烯-1-甲酸 (CAS 138-59-0) 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.
3,4,5-三羟基-1-环己烯-1-甲酸
3,4,5-trihydroxycyclohexene-1-carboxylic acid
Also Known As: shikimic acid, shikimate, Skikimic acid, D-Shikimic acid, (-)-Shikimic acid
| Molecular Formula | C7H10O5 |
|---|---|
| Molecular Weight | 174.05 g/mol |
| LogP | -1.7 |
| 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 | 222.0 |
Chemical Identifiers
| CAS Number | 138-59-0 |
|---|---|
| SMILES | C1C(C(C(C=C1C(=O)O)O)O)O |
| InChIKey | JXOHGGNKMLTUBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5-三羟基-1-环己烯-1-甲酸 (CAS 138-59-0), with molecular formula C7H10O5 and molecular weight 174.05 g/mol. IUPAC: 3,4,5-trihydroxycyclohexene-1-carboxylic acid.
Chemical Property Profile of 3,4,5-三羟基-1-环己烯-1-甲酸
Property Insights of 3,4,5-三羟基-1-环己烯-1-甲酸
The XLogP value of -1.7 indicates that 3,4,5-三羟基-1-环己烯-1-甲酸 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 3,4,5-三羟基-1-环己烯-1-甲酸. Following Lipinski's Rule of Five, 3,4,5-三羟基-1-环己烯-1-甲酸 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 3,4,5-三羟基-1-环己烯-1-甲酸?
The CAS number of 3,4,5-三羟基-1-环己烯-1-甲酸 is 138-59-0.
What is the molecular formula of 3,4,5-三羟基-1-环己烯-1-甲酸?
The molecular formula of 3,4,5-三羟基-1-环己烯-1-甲酸 is C7H10O5.
What is the molecular weight of 3,4,5-三羟基-1-环己烯-1-甲酸?
The molecular weight of 3,4,5-三羟基-1-环己烯-1-甲酸 is 174.05 g/mol.
Where can I buy 3,4,5-三羟基-1-环己烯-1-甲酸?
You can request a quote for 3,4,5-三羟基-1-环己烯-1-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-三羟基-1-环己烯-1-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-三羟基-1-环己烯-1-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.