(3Z)-3-(2-Carbamothioylhydrazinylidene)-5-nitro-1-(2,3,4-tri-O-acetylpentopyranosyl)-1,3-dihydro-2H-indol-2-one
TL;DR: (3Z)-3-(2-Carbamothioylhydrazinylidene)-5-nitro-1-(2,3,4-tri-O-acetylpentopyranosyl)-1,3-dihydro-2H-indol-2-one (CAS 92592-82-0) is a chemical compound with molecular formula C20H21N5O10S and molecular weight 523.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4,5-diacetyloxy-6-[3-(carbamothioyldiazenyl)-2-hydroxy-5-nitroindol-1-yl]oxan-3-yl] acetate
Also Known As: (3Z)-3-(2-Carbamothioylhydrazinylidene)-5-nitro-1-(2,3,4-tri-O-acetylpentopyranosyl)-1,3-dihydro-2H-indol-2-one, [4,5-Diacetyloxy-6-[3-(carbamothioyldiazenyl)-2-hydroxy-5-nitroindol-1-yl]oxan-3-yl] acetate, [4,5-diacetyloxy-6-[3-(carbamothioylhydrazinylidene)-5-nitro-2-oxoindol-1-yl]oxan-3-yl] acetate, Hydrazinecarbothioamide,2-dihydro-5-nitro-2-oxo-1-(2,3,4-tri-O-acetyl-.alpha.-L-arabinopyranosyl)-3H-indol-3-ylidene]-
| Molecular Formula | C20H21N5O10S |
|---|---|
| Molecular Weight | 523.10 g/mol |
| LogP | 1.9063 |
| Topological Polar Surface Area | 207.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 523.1009 |
| Heavy Atoms | 36 |
| Complexity | 1275.2994 |
Chemical Identifiers
| CAS Number | 92592-82-0 |
|---|---|
| SMILES | CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3=C(C=C(C=C3)[N+](=O)[O-])C(=C2O)N=NC(=S)N |
Product Overview
(3Z)-3-(2-Carbamothioylhydrazinylidene)-5-nitro-1-(2,3,4-tri-O-acetylpentopyranosyl)-1,3-dihydro-2H-indol-2-one (CAS 92592-82-0), with molecular formula C20H21N5O10S and molecular weight 523.10 g/mol. IUPAC: [4,5-diacetyloxy-6-[3-(carbamothioyldiazenyl)-2-hydroxy-5-nitroindol-1-yl]oxan-3-yl] acetate.
Chemical Property Profile of (3Z)-3-(2-Carbamothioylhydrazinylidene)-5-nitro-1-(2,3,4-tri-O-acetylpentopyranosyl)-1,3-dihydro-2H-indol-2-one
Property Insights of (3Z)-3-(2-Carbamothioylhydrazinylidene)-5-nitro-1-(2,3,4-tri-O-acetylpentopyranosyl)-1,3-dihydro-2H-indol-2-one
The XLogP value of 1.9063 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3Z)-3-(2-Carbamothioylhydrazinylidene)-5-nitro-1-(2,3,4-tri-O-acetylpentopyranosyl)-1,3-dihydro-2H-indol-2-one. The TPSA of 207.17 Ų indicates high polarity, suggesting (3Z)-3-(2-Carbamothioylhydrazinylidene)-5-nitro-1-(2,3,4-tri-O-acetylpentopyranosyl)-1,3-dihydro-2H-indol-2-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (3Z)-3-(2-Carbamothioylhydrazinylidene)-5-nitro-1-(2,3,4-tri-O-acetylpentopyranosyl)-1,3-dihydro-2H-indol-2-one has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3Z)-3-(2-Carbamothioylhydrazinylidene)-5-nitro-1-(2,3,4-tri-O-acetylpentopyranosyl)-1,3-dihydro-2H-indol-2-one?
The CAS number of (3Z)-3-(2-Carbamothioylhydrazinylidene)-5-nitro-1-(2,3,4-tri-O-acetylpentopyranosyl)-1,3-dihydro-2H-indol-2-one is 92592-82-0.
What is the molecular formula of (3Z)-3-(2-Carbamothioylhydrazinylidene)-5-nitro-1-(2,3,4-tri-O-acetylpentopyranosyl)-1,3-dihydro-2H-indol-2-one?
The molecular formula of (3Z)-3-(2-Carbamothioylhydrazinylidene)-5-nitro-1-(2,3,4-tri-O-acetylpentopyranosyl)-1,3-dihydro-2H-indol-2-one is C20H21N5O10S.
What is the molecular weight of (3Z)-3-(2-Carbamothioylhydrazinylidene)-5-nitro-1-(2,3,4-tri-O-acetylpentopyranosyl)-1,3-dihydro-2H-indol-2-one?
The molecular weight of (3Z)-3-(2-Carbamothioylhydrazinylidene)-5-nitro-1-(2,3,4-tri-O-acetylpentopyranosyl)-1,3-dihydro-2H-indol-2-one is 523.10 g/mol.
Where can I buy (3Z)-3-(2-Carbamothioylhydrazinylidene)-5-nitro-1-(2,3,4-tri-O-acetylpentopyranosyl)-1,3-dihydro-2H-indol-2-one?
You can request a quote for (3Z)-3-(2-Carbamothioylhydrazinylidene)-5-nitro-1-(2,3,4-tri-O-acetylpentopyranosyl)-1,3-dihydro-2H-indol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3Z)-3-(2-Carbamothioylhydrazinylidene)-5-nitro-1-(2,3,4-tri-O-acetylpentopyranosyl)-1,3-dihydro-2H-indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3Z)-3-(2-Carbamothioylhydrazinylidene)-5-nitro-1-(2,3,4-tri-O-acetylpentopyranosyl)-1,3-dihydro-2H-indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.