N-4-hydroxymethylbenzylglucamine dithiocarbamate
TL;DR: N-4-hydroxymethylbenzylglucamine dithiocarbamate (CAS 127531-17-3) is a chemical compound with molecular formula C15H23NO6S2 and molecular weight 377.09668 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(hydroxymethyl)phenyl]methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioic acid
Also Known As: N-Hbgd, F-carbocyclic-AZT, HBGD, N-4-Hydroxymethylbenzylglucamine dithiocarbamate, N-p-Hydroxymethylbenzyl-D-glucamine dithiocarbamate
Technical Specifications
| Molecular Formula | C15H23NO6S2 |
| Molecular Weight | 377.09668 g/mol |
| XLogP | -1.6 |
| Topological Polar Surface Area (TPSA) | 158.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 377.09668 Da |
| Heavy Atoms | 24 |
| Complexity | 381.0 |
| SMILES | C1=CC(=CC=C1CN(C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C(=S)S)CO |
| InChIKey | XAMXFGPRNKOPIS-REWJHTLYSA-N |
Chemical Property Profile of N-4-hydroxymethylbenzylglucamine dithiocarbamate
Property Insights of N-4-hydroxymethylbenzylglucamine dithiocarbamate
The XLogP value of -1.6 indicates that N-4-hydroxymethylbenzylglucamine dithiocarbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.0 Ų indicates high polarity, suggesting N-4-hydroxymethylbenzylglucamine dithiocarbamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-4-hydroxymethylbenzylglucamine dithiocarbamate has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-4-hydroxymethylbenzylglucamine dithiocarbamate?
The CAS number of N-4-hydroxymethylbenzylglucamine dithiocarbamate is 127531-17-3.
What is the molecular formula of N-4-hydroxymethylbenzylglucamine dithiocarbamate?
The molecular formula of N-4-hydroxymethylbenzylglucamine dithiocarbamate is C15H23NO6S2.
What is the molecular weight of N-4-hydroxymethylbenzylglucamine dithiocarbamate?
The molecular weight of N-4-hydroxymethylbenzylglucamine dithiocarbamate is 377.09668 g/mol.
Where can I buy N-4-hydroxymethylbenzylglucamine dithiocarbamate?
You can request a quote for N-4-hydroxymethylbenzylglucamine dithiocarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-4-hydroxymethylbenzylglucamine dithiocarbamate?
Yes, CoreyChem provides custom synthesis services for N-4-hydroxymethylbenzylglucamine dithiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.