N-4-carboxybenzylglucamine dithiocarbamate
TL;DR: N-4-carboxybenzylglucamine dithiocarbamate (CAS 127531-18-4) is a chemical compound with molecular formula C15H21NO7S2 and molecular weight 391.07596 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[dithiocarboxy-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]methyl]benzoic acid
Also Known As: N-Cbgd, CBGD, N-4-Carboxybenzylglucamine dithiocarbamate, N-p-Carboxybenzyl-D-glucamine dithiocarbamate, N-(4-Carboxybenzyl)-D-glucamine dithiocarbamate
Technical Specifications
| Molecular Formula | C15H21NO7S2 |
| Molecular Weight | 391.07596 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 175.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 391.07596 Da |
| Heavy Atoms | 25 |
| Complexity | 446.0 |
| SMILES | C1=CC(=CC=C1CN(C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C(=S)S)C(=O)O |
| InChIKey | FVBVEHVQVWFUKG-UMSGYPCISA-N |
Chemical Property Profile of N-4-carboxybenzylglucamine dithiocarbamate
Property Insights of N-4-carboxybenzylglucamine dithiocarbamate
The XLogP value of -1.2 indicates that N-4-carboxybenzylglucamine dithiocarbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 175.0 Ų indicates high polarity, suggesting N-4-carboxybenzylglucamine dithiocarbamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-4-carboxybenzylglucamine dithiocarbamate has 7 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-4-carboxybenzylglucamine dithiocarbamate?
The CAS number of N-4-carboxybenzylglucamine dithiocarbamate is 127531-18-4.
What is the molecular formula of N-4-carboxybenzylglucamine dithiocarbamate?
The molecular formula of N-4-carboxybenzylglucamine dithiocarbamate is C15H21NO7S2.
What is the molecular weight of N-4-carboxybenzylglucamine dithiocarbamate?
The molecular weight of N-4-carboxybenzylglucamine dithiocarbamate is 391.07596 g/mol.
Where can I buy N-4-carboxybenzylglucamine dithiocarbamate?
You can request a quote for N-4-carboxybenzylglucamine dithiocarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-4-carboxybenzylglucamine dithiocarbamate?
Yes, CoreyChem provides custom synthesis services for N-4-carboxybenzylglucamine dithiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.