黑芥子苷
TL;DR: 黑芥子苷 (CAS 534-69-0) is a chemical compound with molecular formula C10H17NO9S2 and molecular weight 359.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
黑芥子苷
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] N-sulfooxybut-3-enimidothioate
Also Known As: Myronate, Sinigrin, allylglucosinolate, Allyl glucosinolate, 2-Propenyl glucosinolate
| Molecular Formula | C10H17NO9S2 |
|---|---|
| Molecular Weight | 359.03 g/mol |
| LogP | -1.7715 |
| Topological Polar Surface Area | 166.11 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.0345 |
| Heavy Atoms | 22 |
| Complexity | 506.52658 |
Chemical Identifiers
| CAS Number | 534-69-0 |
|---|---|
| SMILES | C=CCC(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
Product Overview
黑芥子苷 (CAS 534-69-0), with molecular formula C10H17NO9S2 and molecular weight 359.03 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] N-sulfooxybut-3-enimidothioate.
Chemical Property Profile of 黑芥子苷
Property Insights of 黑芥子苷
The XLogP value of -1.7715 indicates that 黑芥子苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.11 Ų indicates high polarity, suggesting 黑芥子苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 黑芥子苷 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 黑芥子苷?
The CAS number of 黑芥子苷 is 534-69-0.
What is the molecular formula of 黑芥子苷?
The molecular formula of 黑芥子苷 is C10H17NO9S2.
What is the molecular weight of 黑芥子苷?
The molecular weight of 黑芥子苷 is 359.03 g/mol.
Where can I buy 黑芥子苷?
You can request a quote for 黑芥子苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 黑芥子苷?
Yes, KEHONG BIO provides custom synthesis services for 黑芥子苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.