N-4-羧基苄基葡甲胺二硫代氨基甲酸盐
TL;DR: N-4-羧基苄基葡甲胺二硫代氨基甲酸盐 (CAS 127531-18-4) is a chemical compound with molecular formula C15H21NO7S2 and molecular weight 391.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-4-羧基苄基葡甲胺二硫代氨基甲酸盐
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
| Molecular Formula | C15H21NO7S2 |
|---|---|
| Molecular Weight | 391.08 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 391.07596 |
| Heavy Atoms | 25 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 127531-18-4 |
|---|---|
| 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 |
Product Overview
N-4-羧基苄基葡甲胺二硫代氨基甲酸盐 (CAS 127531-18-4), with molecular formula C15H21NO7S2 and molecular weight 391.08 g/mol. IUPAC: 4-[[dithiocarboxy-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]methyl]benzoic acid.
Chemical Property Profile of N-4-羧基苄基葡甲胺二硫代氨基甲酸盐
Property Insights of N-4-羧基苄基葡甲胺二硫代氨基甲酸盐
The XLogP value of -1.2 indicates that N-4-羧基苄基葡甲胺二硫代氨基甲酸盐 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-羧基苄基葡甲胺二硫代氨基甲酸盐 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-4-羧基苄基葡甲胺二硫代氨基甲酸盐 has 7 hydrogen bond donor(s) and 9 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-羧基苄基葡甲胺二硫代氨基甲酸盐?
The CAS number of N-4-羧基苄基葡甲胺二硫代氨基甲酸盐 is 127531-18-4.
What is the molecular formula of N-4-羧基苄基葡甲胺二硫代氨基甲酸盐?
The molecular formula of N-4-羧基苄基葡甲胺二硫代氨基甲酸盐 is C15H21NO7S2.
What is the molecular weight of N-4-羧基苄基葡甲胺二硫代氨基甲酸盐?
The molecular weight of N-4-羧基苄基葡甲胺二硫代氨基甲酸盐 is 391.08 g/mol.
Where can I buy N-4-羧基苄基葡甲胺二硫代氨基甲酸盐?
You can request a quote for N-4-羧基苄基葡甲胺二硫代氨基甲酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-4-羧基苄基葡甲胺二硫代氨基甲酸盐?
Yes, KEHONG BIO provides custom synthesis services for N-4-羧基苄基葡甲胺二硫代氨基甲酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.