丙烷-1,2,3-三羧酸
TL;DR: 丙烷-1,2,3-三羧酸 (CAS 99-14-9) is a chemical compound with molecular formula C6H8O6 and molecular weight 176.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙烷-1,2,3-三羧酸
propane-1,2,3-tricarboxylic acid
Also Known As: Tricarballylic acid, Carballylic acid, 1,2,3-Propanetricarboxylic acid, Tricarballylate, Propane-1,2,3-tricarboxylic acid
| Molecular Formula | C6H8O6 |
|---|---|
| Molecular Weight | 176.03 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 176.03209 |
| Heavy Atoms | 12 |
| Complexity | 192.0 |
| Melting Point | 166 °C |
| Solubility | 3.32E+05 mg/L @ 18C (exp) |
Chemical Identifiers
| CAS Number | 99-14-9 |
|---|---|
| SMILES | C(C(CC(=O)O)C(=O)O)C(=O)O |
| InChIKey | KQTIIICEAUMSDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙烷-1,2,3-三羧酸 (CAS 99-14-9), with molecular formula C6H8O6 and molecular weight 176.03 g/mol. IUPAC: propane-1,2,3-tricarboxylic acid.
Chemical Property Profile of 丙烷-1,2,3-三羧酸
Property Insights of 丙烷-1,2,3-三羧酸
The XLogP value of -1.2 indicates that 丙烷-1,2,3-三羧酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 丙烷-1,2,3-三羧酸. Following Lipinski's Rule of Five, 丙烷-1,2,3-三羧酸 has 3 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 丙烷-1,2,3-三羧酸?
The CAS number of 丙烷-1,2,3-三羧酸 is 99-14-9.
What is the molecular formula of 丙烷-1,2,3-三羧酸?
The molecular formula of 丙烷-1,2,3-三羧酸 is C6H8O6.
What is the molecular weight of 丙烷-1,2,3-三羧酸?
The molecular weight of 丙烷-1,2,3-三羧酸 is 176.03 g/mol.
Where can I buy 丙烷-1,2,3-三羧酸?
You can request a quote for 丙烷-1,2,3-三羧酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙烷-1,2,3-三羧酸?
Yes, KEHONG BIO provides custom synthesis services for 丙烷-1,2,3-三羧酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.