m-Methoxybenzyl glucosinolate
TL;DR: m-Methoxybenzyl glucosinolate (CAS 125178-07-6) is a chemical compound with molecular formula C15H21NO10S2 and molecular weight 439.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[2-[3-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]phenyl]acetyl]amino] hydrogen sulfate
Also Known As: m-Methoxybenzyl glucosinolate, 1-c-(2-methyl-6-{2-oxo-2-[(sulfooxy)amino]ethyl}phenyl)-1-thio-, A-d-glucopyranose, [[2-[3-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]phenyl]acetyl]amino] hydrogen sulfate
| Molecular Formula | C15H21NO10S2 |
|---|---|
| Molecular Weight | 439.06 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.0607 |
| Heavy Atoms | 28 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 125178-07-6 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)CC(=O)NOS(=O)(=O)O)[C@@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)S |
| InChIKey | QMOBHGXAVHMEHG-CEVLRCNZSA-N |
Product Overview
m-Methoxybenzyl glucosinolate (CAS 125178-07-6), with molecular formula C15H21NO10S2 and molecular weight 439.06 g/mol. IUPAC: [[2-[3-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]phenyl]acetyl]amino] hydrogen sulfate.
Chemical Property Profile of m-Methoxybenzyl glucosinolate
Property Insights of m-Methoxybenzyl glucosinolate
The XLogP value of -1.6 indicates that m-Methoxybenzyl glucosinolate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 192.0 Ų indicates high polarity, suggesting m-Methoxybenzyl glucosinolate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, m-Methoxybenzyl glucosinolate has 7 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 m-Methoxybenzyl glucosinolate?
The CAS number of m-Methoxybenzyl glucosinolate is 125178-07-6.
What is the molecular formula of m-Methoxybenzyl glucosinolate?
The molecular formula of m-Methoxybenzyl glucosinolate is C15H21NO10S2.
What is the molecular weight of m-Methoxybenzyl glucosinolate?
The molecular weight of m-Methoxybenzyl glucosinolate is 439.06 g/mol.
Where can I buy m-Methoxybenzyl glucosinolate?
You can request a quote for m-Methoxybenzyl glucosinolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Methoxybenzyl glucosinolate?
Yes, KEHONG BIO provides custom synthesis services for m-Methoxybenzyl glucosinolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.