Glucocochlearin
TL;DR: Glucocochlearin (CAS 499-24-1) is a chemical compound with molecular formula C11H21NO9S2 and molecular weight 375.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S)-2-methyl-N-sulfooxybutanimidothioate
Also Known As: Glucocochlearin, glucocochlearin(1?), 3-Carboxyglutaconic acid, 1-Methylpropyl glucosinolate, 1-S-[2-Methyl-N-(sulfooxy)butanimidoyl]-1-thiohexopyranose
| Molecular Formula | C11H21NO9S2 |
|---|---|
| Molecular Weight | 375.07 g/mol |
| LogP | -1.3015 |
| Topological Polar Surface Area | 166.11 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.06577 |
| Heavy Atoms | 23 |
| Complexity | 509.62656 |
Chemical Identifiers
| CAS Number | 499-24-1 |
|---|---|
| SMILES | CC[C@H](C)C(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
Product Overview
Glucocochlearin (CAS 499-24-1), with molecular formula C11H21NO9S2 and molecular weight 375.07 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S)-2-methyl-N-sulfooxybutanimidothioate.
Chemical Property Profile of Glucocochlearin
Property Insights of Glucocochlearin
The XLogP value of -1.3015 indicates that Glucocochlearin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.11 Ų indicates high polarity, suggesting Glucocochlearin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glucocochlearin has 5 hydrogen bond donor(s) and 10 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 Glucocochlearin?
The CAS number of Glucocochlearin is 499-24-1.
What is the molecular formula of Glucocochlearin?
The molecular formula of Glucocochlearin is C11H21NO9S2.
What is the molecular weight of Glucocochlearin?
The molecular weight of Glucocochlearin is 375.07 g/mol.
Where can I buy Glucocochlearin?
You can request a quote for Glucocochlearin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glucocochlearin?
Yes, KEHONG BIO provides custom synthesis services for Glucocochlearin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.