1-Isopropyl citrate
TL;DR: 1-Isopropyl citrate (CAS 1321-57-9) is a chemical compound with molecular formula C9H14O7 and molecular weight 234.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-(2-oxo-2-propan-2-yloxyethyl)butanedioic acid
Also Known As: 1-Isopropyl citrate, Citric Acid Isopropyl Ester, Monoisopropyl citrate, Isopropyl citrate, Citric acid, isopropyl ester
| Molecular Formula | C9H14O7 |
|---|---|
| Molecular Weight | 234.07 g/mol |
| LogP | -0.3815 |
| Topological Polar Surface Area | 121.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 234.07396 |
| Heavy Atoms | 16 |
| Complexity | 296.23264 |
Chemical Identifiers
| CAS Number | 1321-57-9 |
|---|---|
| SMILES | CC(C)OC(=O)CC(CC(=O)O)(C(=O)O)O |
Product Overview
1-Isopropyl citrate (CAS 1321-57-9), with molecular formula C9H14O7 and molecular weight 234.07 g/mol. IUPAC: 2-hydroxy-2-(2-oxo-2-propan-2-yloxyethyl)butanedioic acid.
Chemical Property Profile of 1-Isopropyl citrate
Property Insights of 1-Isopropyl citrate
The XLogP value of -0.3815 indicates that 1-Isopropyl citrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Isopropyl citrate. Following Lipinski's Rule of Five, 1-Isopropyl citrate has 3 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 1-Isopropyl citrate?
The CAS number of 1-Isopropyl citrate is 1321-57-9.
What is the molecular formula of 1-Isopropyl citrate?
The molecular formula of 1-Isopropyl citrate is C9H14O7.
What is the molecular weight of 1-Isopropyl citrate?
The molecular weight of 1-Isopropyl citrate is 234.07 g/mol.
Where can I buy 1-Isopropyl citrate?
You can request a quote for 1-Isopropyl citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isopropyl citrate?
Yes, KEHONG BIO provides custom synthesis services for 1-Isopropyl citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.