1,3,4-三羟基-5-氧代环己烷-1-甲酸
TL;DR: 1,3,4-三羟基-5-氧代环己烷-1-甲酸 (CAS 105735-75-9) 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.
1,3,4-三羟基-5-氧代环己烷-1-甲酸
1,3,4-trihydroxy-5-oxocyclohexane-1-carboxylic acid
Also Known As: 5-dehydroquinic acid, Fluoranthene, 2,8-dinitro-, KST-1A9752, 1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACID, 1,3,4-trihydroxy-5-oxocyclohexane-1-carboxylic 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 | 105735-75-9 |
|---|---|
| SMILES | C1C(C(C(=O)CC1(C(=O)O)O)O)O |
| InChIKey | WVMWZWGZRAXUBK-UHFFFAOYSA-N |
Product Overview
1,3,4-三羟基-5-氧代环己烷-1-甲酸 (CAS 105735-75-9), with molecular formula C7H10O6 and molecular weight 190.05 g/mol. IUPAC: 1,3,4-trihydroxy-5-oxocyclohexane-1-carboxylic acid.
Chemical Property Profile of 1,3,4-三羟基-5-氧代环己烷-1-甲酸
Property Insights of 1,3,4-三羟基-5-氧代环己烷-1-甲酸
The XLogP value of -2.4 indicates that 1,3,4-三羟基-5-氧代环己烷-1-甲酸 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 1,3,4-三羟基-5-氧代环己烷-1-甲酸. Following Lipinski's Rule of Five, 1,3,4-三羟基-5-氧代环己烷-1-甲酸 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 1,3,4-三羟基-5-氧代环己烷-1-甲酸?
The CAS number of 1,3,4-三羟基-5-氧代环己烷-1-甲酸 is 105735-75-9.
What is the molecular formula of 1,3,4-三羟基-5-氧代环己烷-1-甲酸?
The molecular formula of 1,3,4-三羟基-5-氧代环己烷-1-甲酸 is C7H10O6.
What is the molecular weight of 1,3,4-三羟基-5-氧代环己烷-1-甲酸?
The molecular weight of 1,3,4-三羟基-5-氧代环己烷-1-甲酸 is 190.05 g/mol.
Where can I buy 1,3,4-三羟基-5-氧代环己烷-1-甲酸?
You can request a quote for 1,3,4-三羟基-5-氧代环己烷-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 1,3,4-三羟基-5-氧代环己烷-1-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-三羟基-5-氧代环己烷-1-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.