白芥子苷
TL;DR: 白芥子苷 (CAS 20196-67-2) is a chemical compound with molecular formula C14H19NO10S2 and molecular weight 425.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
白芥子苷
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(4-hydroxyphenyl)-N-sulfooxyethanimidothioate
Also Known As: Sinalbin, Glucosinalbate, Glucosinalbin, p-Hydroxybenzyl glucosinolate, SINALBIN, POTASSIUM SALT
| Molecular Formula | C14H19NO10S2 |
|---|---|
| Molecular Weight | 425.05 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 220.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 425.04504 |
| Heavy Atoms | 27 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 20196-67-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O)O |
| InChIKey | WWBNBPSEKLOHJU-UHFFFAOYSA-N |
Product Overview
白芥子苷 (CAS 20196-67-2), with molecular formula C14H19NO10S2 and molecular weight 425.05 g/mol. IUPAC: [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(4-hydroxyphenyl)-N-sulfooxyethanimidothioate.
Chemical Property Profile of 白芥子苷
Property Insights of 白芥子苷
The XLogP value of -0.6 indicates that 白芥子苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 220.0 Ų indicates high polarity, suggesting 白芥子苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 白芥子苷 has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 白芥子苷?
The CAS number of 白芥子苷 is 20196-67-2.
What is the molecular formula of 白芥子苷?
The molecular formula of 白芥子苷 is C14H19NO10S2.
What is the molecular weight of 白芥子苷?
The molecular weight of 白芥子苷 is 425.05 g/mol.
Where can I buy 白芥子苷?
You can request a quote for 白芥子苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 白芥子苷?
Yes, KEHONG BIO provides custom synthesis services for 白芥子苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.