Glucobrassicanapin
TL;DR: Glucobrassicanapin (CAS 19041-10-2) is a chemical compound with molecular formula C12H21NO9S2 and molecular weight 387.07 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] N-sulfooxyhex-5-enimidothioate
Also Known As: Glucobrassicanapin, 4-Pentenylglucosinolate, 4-Pentenyl glucosinolate, Lactic acid, neodymium salt, Glucobrassicanapin (Pent-4-enyl-GS)
| Molecular Formula | C12H21NO9S2 |
|---|---|
| Molecular Weight | 387.07 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 387.06577 |
| Heavy Atoms | 24 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 19041-10-2 |
|---|---|
| SMILES | C=CCCCC(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| InChIKey | XMJFVIGTHMOGNZ-URYVQPGZSA-N |
Product Overview
Glucobrassicanapin (CAS 19041-10-2), with molecular formula C12H21NO9S2 and molecular weight 387.07 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] N-sulfooxyhex-5-enimidothioate.
Chemical Property Profile of Glucobrassicanapin
Property Insights of Glucobrassicanapin
The XLogP value of -0.4 indicates that Glucobrassicanapin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 200.0 Ų indicates high polarity, suggesting Glucobrassicanapin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glucobrassicanapin 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 Glucobrassicanapin?
The CAS number of Glucobrassicanapin is 19041-10-2.
What is the molecular formula of Glucobrassicanapin?
The molecular formula of Glucobrassicanapin is C12H21NO9S2.
What is the molecular weight of Glucobrassicanapin?
The molecular weight of Glucobrassicanapin is 387.07 g/mol.
Where can I buy Glucobrassicanapin?
You can request a quote for Glucobrassicanapin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glucobrassicanapin?
Yes, KEHONG BIO provides custom synthesis services for Glucobrassicanapin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.