3-Isopropylmalate
TL;DR: 3-Isopropylmalate (CAS 126576-14-5) is a chemical compound with molecular formula C7H12O5 and molecular weight 176.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S)-2-hydroxy-3-propan-2-ylbutanedioic acid
Also Known As: 3-isopropylmalate, 3-isopropylmalic acid, 2-isopropylmalate, (2R,3S)-3-Isopropylmalate, 3-3-isopropylmalic acid
| Molecular Formula | C7H12O5 |
|---|---|
| Molecular Weight | 176.07 g/mol |
| LogP | -0.2113 |
| Topological Polar Surface Area | 94.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.06847 |
| Heavy Atoms | 12 |
| Complexity | 186.23576 |
Chemical Identifiers
| CAS Number | 126576-14-5 |
|---|---|
| SMILES | CC(C)[C@@H]([C@H](C(=O)O)O)C(=O)O |
Product Overview
3-Isopropylmalate (CAS 126576-14-5), with molecular formula C7H12O5 and molecular weight 176.07 g/mol. IUPAC: (2R,3S)-2-hydroxy-3-propan-2-ylbutanedioic acid.
Chemical Property Profile of 3-Isopropylmalate
Property Insights of 3-Isopropylmalate
The XLogP value of -0.2113 indicates that 3-Isopropylmalate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Isopropylmalate. Following Lipinski's Rule of Five, 3-Isopropylmalate has 3 hydrogen bond donor(s) and 3 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 3-Isopropylmalate?
The CAS number of 3-Isopropylmalate is 126576-14-5.
What is the molecular formula of 3-Isopropylmalate?
The molecular formula of 3-Isopropylmalate is C7H12O5.
What is the molecular weight of 3-Isopropylmalate?
The molecular weight of 3-Isopropylmalate is 176.07 g/mol.
Where can I buy 3-Isopropylmalate?
You can request a quote for 3-Isopropylmalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isopropylmalate?
Yes, KEHONG BIO provides custom synthesis services for 3-Isopropylmalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.