Glucolepidiin
TL;DR: Glucolepidiin (CAS 101144-39-2) is a chemical compound with molecular formula C9H17NO9S2 and molecular weight 347.03 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] N-sulfooxypropanimidothioate
Also Known As: Glucolepidiin, Ethyl glucosinolate, Glucolepidin (Ethyl-GS), 1-S-[N-(Sulfooxy)propanimidoyl]-1-thio-beta-D-glucopyranose, 2-(C-ethyl-N-sulfooxy-carbonimidoyl)sulfanyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxane
| Molecular Formula | C9H17NO9S2 |
|---|---|
| Molecular Weight | 347.03 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.0345 |
| Heavy Atoms | 21 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 101144-39-2 |
|---|---|
| SMILES | CCC(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| InChIKey | ZPFWVYNZDHOONR-GXHGQEQLSA-N |
Product Overview
Glucolepidiin (CAS 101144-39-2), with molecular formula C9H17NO9S2 and molecular weight 347.03 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] N-sulfooxypropanimidothioate.
Chemical Property Profile of Glucolepidiin
Property Insights of Glucolepidiin
The XLogP value of -1.3 indicates that Glucolepidiin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 200.0 Ų indicates high polarity, suggesting Glucolepidiin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glucolepidiin has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Glucolepidiin?
The CAS number of Glucolepidiin is 101144-39-2.
What is the molecular formula of Glucolepidiin?
The molecular formula of Glucolepidiin is C9H17NO9S2.
What is the molecular weight of Glucolepidiin?
The molecular weight of Glucolepidiin is 347.03 g/mol.
Where can I buy Glucolepidiin?
You can request a quote for Glucolepidiin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glucolepidiin?
Yes, KEHONG BIO provides custom synthesis services for Glucolepidiin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.