苄基硫代葡萄糖苷
TL;DR: 苄基硫代葡萄糖苷 (CAS 499-26-3) is a chemical compound with molecular formula C14H19NO9S2 and molecular weight 409.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄基硫代葡萄糖苷
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-phenyl-N-sulfooxyethanimidothioate
Also Known As: Glucotropeolin, Glucotropaeolin, Benzyl glucosinolate, [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-phenyl-N-sulfooxyethanimidothioate, 1-S-[(1Z)-2-phenyl-N-(sulfooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose
| Molecular Formula | C14H19NO9S2 |
|---|---|
| Molecular Weight | 409.05 g/mol |
| LogP | -1.1049 |
| Topological Polar Surface Area | 166.11 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.0501 |
| Heavy Atoms | 26 |
| Complexity | 710.38745 |
Chemical Identifiers
| CAS Number | 499-26-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C/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
苄基硫代葡萄糖苷 (CAS 499-26-3), with molecular formula C14H19NO9S2 and molecular weight 409.05 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-phenyl-N-sulfooxyethanimidothioate.
Chemical Property Profile of 苄基硫代葡萄糖苷
Property Insights of 苄基硫代葡萄糖苷
The XLogP value of -1.1049 indicates that 苄基硫代葡萄糖苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.11 Ų indicates high polarity, suggesting 苄基硫代葡萄糖苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 苄基硫代葡萄糖苷 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 苄基硫代葡萄糖苷?
The CAS number of 苄基硫代葡萄糖苷 is 499-26-3.
What is the molecular formula of 苄基硫代葡萄糖苷?
The molecular formula of 苄基硫代葡萄糖苷 is C14H19NO9S2.
What is the molecular weight of 苄基硫代葡萄糖苷?
The molecular weight of 苄基硫代葡萄糖苷 is 409.05 g/mol.
Where can I buy 苄基硫代葡萄糖苷?
You can request a quote for 苄基硫代葡萄糖苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄基硫代葡萄糖苷?
Yes, KEHONG BIO provides custom synthesis services for 苄基硫代葡萄糖苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.