N-benzyl-4-O-(beta-galactopyranosyl)glucamine-N-carbodithioate
TL;DR: N-benzyl-4-O-(beta-galactopyranosyl)glucamine-N-carbodithioate (CAS 126759-12-4) is a chemical compound with molecular formula C20H31NO10S2 and molecular weight 509.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[(2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]carbamodithioic acid
Also Known As: BLDTC, N-Benzyl-N-lactyl dithiocarbamate, N-Benzyl-4-O-(beta-galactopyranosyl)glucamine-N-carbodithioate, benzyl-[(2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]carbamodithioic acid, N-[3-Methyl-1-oxo-1-(propylamino)butan-2-yl]-3,5-dinitrobenzamide
| Molecular Formula | C20H31NO10S2 |
|---|---|
| Molecular Weight | 509.14 g/mol |
| LogP | -3.0366 |
| Topological Polar Surface Area | 183.54 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 509.13895 |
| Heavy Atoms | 33 |
| Complexity | 730.0568 |
Chemical Identifiers
| CAS Number | 126759-12-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)C(=S)S |
Product Overview
N-benzyl-4-O-(beta-galactopyranosyl)glucamine-N-carbodithioate (CAS 126759-12-4), with molecular formula C20H31NO10S2 and molecular weight 509.14 g/mol. IUPAC: benzyl-[(2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]carbamodithioic acid.
Chemical Property Profile of N-benzyl-4-O-(beta-galactopyranosyl)glucamine-N-carbodithioate
Property Insights of N-benzyl-4-O-(beta-galactopyranosyl)glucamine-N-carbodithioate
The XLogP value of -3.0366 indicates that N-benzyl-4-O-(beta-galactopyranosyl)glucamine-N-carbodithioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 183.54 Ų indicates high polarity, suggesting N-benzyl-4-O-(beta-galactopyranosyl)glucamine-N-carbodithioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-benzyl-4-O-(beta-galactopyranosyl)glucamine-N-carbodithioate has 9 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 N-benzyl-4-O-(beta-galactopyranosyl)glucamine-N-carbodithioate?
The CAS number of N-benzyl-4-O-(beta-galactopyranosyl)glucamine-N-carbodithioate is 126759-12-4.
What is the molecular formula of N-benzyl-4-O-(beta-galactopyranosyl)glucamine-N-carbodithioate?
The molecular formula of N-benzyl-4-O-(beta-galactopyranosyl)glucamine-N-carbodithioate is C20H31NO10S2.
What is the molecular weight of N-benzyl-4-O-(beta-galactopyranosyl)glucamine-N-carbodithioate?
The molecular weight of N-benzyl-4-O-(beta-galactopyranosyl)glucamine-N-carbodithioate is 509.14 g/mol.
Where can I buy N-benzyl-4-O-(beta-galactopyranosyl)glucamine-N-carbodithioate?
You can request a quote for N-benzyl-4-O-(beta-galactopyranosyl)glucamine-N-carbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-4-O-(beta-galactopyranosyl)glucamine-N-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-4-O-(beta-galactopyranosyl)glucamine-N-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.