Isopropyl Citrate
TL;DR: Isopropyl Citrate (CAS 39413-05-3) is a chemical compound with molecular formula C10H18O7 and molecular weight 250.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-(2-oxopropyl)butanedioic acid;propan-2-ol
Also Known As: Isopropyl citrate, Citric Acid Isopropyl Ester, VISICOL, Citric acid, isopropyl ester, Isopropyl citrate (mixture)
| Molecular Formula | C10H18O7 |
|---|---|
| Molecular Weight | 250.11 g/mol |
| LogP | -0.36 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.10526 |
| Heavy Atoms | 17 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 39413-05-3 |
|---|---|
| SMILES | CC(C)O.CC(=O)CC(CC(=O)O)(C(=O)O)O |
| InChIKey | XBLJCYOUYPSETL-UHFFFAOYSA-N |
Product Overview
Isopropyl Citrate (CAS 39413-05-3), with molecular formula C10H18O7 and molecular weight 250.11 g/mol. IUPAC: 2-hydroxy-2-(2-oxopropyl)butanedioic acid;propan-2-ol.
Chemical Property Profile of Isopropyl Citrate
Property Insights of Isopropyl Citrate
The XLogP value of -0.36 indicates that Isopropyl Citrate 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 Isopropyl Citrate. Following Lipinski's Rule of Five, Isopropyl Citrate 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 Isopropyl Citrate?
The CAS number of Isopropyl Citrate is 39413-05-3.
What is the molecular formula of Isopropyl Citrate?
The molecular formula of Isopropyl Citrate is C10H18O7.
What is the molecular weight of Isopropyl Citrate?
The molecular weight of Isopropyl Citrate is 250.11 g/mol.
Where can I buy Isopropyl Citrate?
You can request a quote for Isopropyl Citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl Citrate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl Citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.