N-(4-Methoxybenzyl)glucamine dithiocarbamate
TL;DR: N-(4-Methoxybenzyl)glucamine dithiocarbamate (CAS 115459-35-3) is a chemical compound with molecular formula C15H23NO6S2 and molecular weight 377.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl)methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioic acid
Also Known As: Meobgdtc, N-(4-Methoxybenzyl)glucamine dithiocarbamate, N-(4-Methoxybenzyl)glucamine-N-carbodithioate, N-(4-Methoxybenzyl)-N-dithiocarboxy-D-glucamine, (4-methoxyphenyl)methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioic acid
| Molecular Formula | C15H23NO6S2 |
|---|---|
| Molecular Weight | 377.10 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 377.09668 |
| Heavy Atoms | 24 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 115459-35-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN(C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C(=S)S |
| InChIKey | TZHIVOUINWKLSG-REWJHTLYSA-N |
Product Overview
N-(4-Methoxybenzyl)glucamine dithiocarbamate (CAS 115459-35-3), with molecular formula C15H23NO6S2 and molecular weight 377.10 g/mol. IUPAC: (4-methoxyphenyl)methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioic acid.
Chemical Property Profile of N-(4-Methoxybenzyl)glucamine dithiocarbamate
Property Insights of N-(4-Methoxybenzyl)glucamine dithiocarbamate
The XLogP value of -0.8 indicates that N-(4-Methoxybenzyl)glucamine dithiocarbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.0 Ų indicates high polarity, suggesting N-(4-Methoxybenzyl)glucamine dithiocarbamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(4-Methoxybenzyl)glucamine dithiocarbamate has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-Methoxybenzyl)glucamine dithiocarbamate?
The CAS number of N-(4-Methoxybenzyl)glucamine dithiocarbamate is 115459-35-3.
What is the molecular formula of N-(4-Methoxybenzyl)glucamine dithiocarbamate?
The molecular formula of N-(4-Methoxybenzyl)glucamine dithiocarbamate is C15H23NO6S2.
What is the molecular weight of N-(4-Methoxybenzyl)glucamine dithiocarbamate?
The molecular weight of N-(4-Methoxybenzyl)glucamine dithiocarbamate is 377.10 g/mol.
Where can I buy N-(4-Methoxybenzyl)glucamine dithiocarbamate?
You can request a quote for N-(4-Methoxybenzyl)glucamine dithiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Methoxybenzyl)glucamine dithiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Methoxybenzyl)glucamine dithiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.