苯乙基芥子油苷
TL;DR: 苯乙基芥子油苷 (CAS 499-30-9) is a chemical compound with molecular formula C15H20NO9S2- and molecular weight 422.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯乙基芥子油苷
[(Z)-[3-phenyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropylidene]amino] sulfate
Also Known As: Gluconasturtiin, gluconasturtiin(1-), 2-phenylethylglucosinolate, Phenethylglucosinolate, Phenylethyl glucosinolate
| Molecular Formula | C15H20NO9S2- |
|---|---|
| Molecular Weight | 422.06 g/mol |
| LogP | -1.0574 |
| Topological Polar Surface Area | 168.94 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.05795 |
| Heavy Atoms | 27 |
| Complexity | 726.0629 |
Chemical Identifiers
| CAS Number | 499-30-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC/C(=N/OS(=O)(=O)[O-])/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
Product Overview
苯乙基芥子油苷 (CAS 499-30-9), with molecular formula C15H20NO9S2- and molecular weight 422.06 g/mol. IUPAC: [(Z)-[3-phenyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropylidene]amino] sulfate.
Chemical Property Profile of 苯乙基芥子油苷
Property Insights of 苯乙基芥子油苷
The XLogP value of -1.0574 indicates that 苯乙基芥子油苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 168.94 Ų indicates high polarity, suggesting 苯乙基芥子油苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 苯乙基芥子油苷 has 4 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 苯乙基芥子油苷?
The CAS number of 苯乙基芥子油苷 is 499-30-9.
What is the molecular formula of 苯乙基芥子油苷?
The molecular formula of 苯乙基芥子油苷 is C15H20NO9S2-.
What is the molecular weight of 苯乙基芥子油苷?
The molecular weight of 苯乙基芥子油苷 is 422.06 g/mol.
Where can I buy 苯乙基芥子油苷?
You can request a quote for 苯乙基芥子油苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯乙基芥子油苷?
Yes, KEHONG BIO provides custom synthesis services for 苯乙基芥子油苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.