Isatinecic acid
TL;DR: Isatinecic acid (CAS 34081-90-8) is a chemical compound with molecular formula C10H16O6 and molecular weight 232.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Isatinecic acid
(2S,3R,5Z)-5-ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid
Also Known As: Isatinecic acid, Retrorsic acid, Retronecic acid, (2S,3R,5Z)-5-ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid, 5-Ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid
| Molecular Formula | C10H16O6 |
|---|---|
| Molecular Weight | 232.09 g/mol |
| LogP | -0.1485 |
| Topological Polar Surface Area | 115.06 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 232.09468 |
| Heavy Atoms | 16 |
| Complexity | 308.43112 |
Chemical Identifiers
| CAS Number | 34081-90-8 |
|---|---|
| SMILES | C/C=C(/C[C@@H](C)[C@](CO)(C(=O)O)O)\C(=O)O |
Product Overview
Isatinecic acid (CAS 34081-90-8), with molecular formula C10H16O6 and molecular weight 232.09 g/mol. IUPAC: (2S,3R,5Z)-5-ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid.
Chemical Property Profile of Isatinecic acid
Property Insights of Isatinecic acid
The XLogP value of -0.1485 indicates that Isatinecic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Isatinecic acid. Following Lipinski's Rule of Five, Isatinecic acid has 4 hydrogen bond donor(s) and 4 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 Isatinecic acid?
The CAS number of Isatinecic acid is 34081-90-8.
What is the molecular formula of Isatinecic acid?
The molecular formula of Isatinecic acid is C10H16O6.
What is the molecular weight of Isatinecic acid?
The molecular weight of Isatinecic acid is 232.09 g/mol.
Where can I buy Isatinecic acid?
You can request a quote for Isatinecic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isatinecic acid?
Yes, KEHONG BIO provides custom synthesis services for Isatinecic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.