Gluconapin
TL;DR: Gluconapin (CAS 19041-09-9) is a chemical compound with molecular formula C11H19NO9S2 and molecular weight 373.05 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] (1Z)-N-sulfooxypent-4-enimidothioate
Also Known As: Gluconapin, 3-butenylglucosinolate, 3-Butenyl glucosinolate, HY-N10346A, 1-Thio-beta-D-glucopyranose 1-(N-(sulfooxy)-4-pentenimidate)
| Molecular Formula | C11H19NO9S2 |
|---|---|
| Molecular Weight | 373.05 g/mol |
| LogP | -1.3814 |
| Topological Polar Surface Area | 166.11 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 373.0501 |
| Heavy Atoms | 23 |
| Complexity | 521.5902 |
Chemical Identifiers
| CAS Number | 19041-09-9 |
|---|---|
| SMILES | C=CCC/C(=N/OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
Product Overview
Gluconapin (CAS 19041-09-9), with molecular formula C11H19NO9S2 and molecular weight 373.05 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-N-sulfooxypent-4-enimidothioate.
Chemical Property Profile of Gluconapin
Property Insights of Gluconapin
The XLogP value of -1.3814 indicates that Gluconapin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.11 Ų indicates high polarity, suggesting Gluconapin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gluconapin 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 Gluconapin?
The CAS number of Gluconapin is 19041-09-9.
What is the molecular formula of Gluconapin?
The molecular formula of Gluconapin is C11H19NO9S2.
What is the molecular weight of Gluconapin?
The molecular weight of Gluconapin is 373.05 g/mol.
Where can I buy Gluconapin?
You can request a quote for Gluconapin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gluconapin?
Yes, KEHONG BIO provides custom synthesis services for Gluconapin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.