异柠檬酸
TL;DR: 异柠檬酸 (CAS 320-77-4) is a chemical compound with molecular formula C6H8O7 and molecular weight 192.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异柠檬酸
1-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: isocitric acid, isocitrate, D-isocitrate, DL-Isocitric acid, Isocitrate acid
| Molecular Formula | C6H8O7 |
|---|---|
| Molecular Weight | 192.03 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.02701 |
| Heavy Atoms | 13 |
| Complexity | 233.0 |
| Melting Point | 162 - 165 °C |
| Solubility | 466 mg/mL |
Chemical Identifiers
| CAS Number | 320-77-4 |
|---|---|
| SMILES | C(C(C(C(=O)O)O)C(=O)O)C(=O)O |
| InChIKey | ODBLHEXUDAPZAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异柠檬酸 (CAS 320-77-4), with molecular formula C6H8O7 and molecular weight 192.03 g/mol. IUPAC: 1-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of 异柠檬酸
Property Insights of 异柠檬酸
The XLogP value of -1.8 indicates that 异柠檬酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 异柠檬酸. Following Lipinski's Rule of Five, 异柠檬酸 has 4 hydrogen bond donor(s) and 7 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 异柠檬酸?
The CAS number of 异柠檬酸 is 320-77-4.
What is the molecular formula of 异柠檬酸?
The molecular formula of 异柠檬酸 is C6H8O7.
What is the molecular weight of 异柠檬酸?
The molecular weight of 异柠檬酸 is 192.03 g/mol.
Where can I buy 异柠檬酸?
You can request a quote for 异柠檬酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异柠檬酸?
Yes, KEHONG BIO provides custom synthesis services for 异柠檬酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.