RefChem:1082856
TL;DR: RefChem:1082856 (CAS 122276-81-7) is a chemical compound with molecular formula C24H30N8O10S2 and molecular weight 654.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-methoxy-3-nitrophenyl)methyl]-3-[(Z)-[(1E,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-[(4-methoxy-3-nitrophenyl)methylcarbamothioylhydrazinylidene]hexan-2-ylidene]amino]thiourea
Also Known As: Glucosone bis-4-(3-nitro-4-methoxybenzyl)thiosemicarbazone, D-arabino-Hexos-2-ulose, bis(((((4-methoxy-3-nitrophenyl)methyl)amino)thioxomethyl)hydrazone), RefChem:1082856
| Molecular Formula | C24H30N8O10S2 |
|---|---|
| Molecular Weight | 654.15 g/mol |
| LogP | -0.4346 |
| Topological Polar Surface Area | 258.5 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 15 |
| Exact Mass | 654.15265 |
| Heavy Atoms | 44 |
| Complexity | 1411.045 |
Chemical Identifiers
| CAS Number | 122276-81-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNC(=S)N/N=C/C(=N/NC(=S)NCC2=CC(=C(C=C2)OC)[N+](=O)[O-])/[C@H]([C@@H]([C@@H](CO)O)O)O)[N+](=O)[O-] |
Product Overview
RefChem:1082856 (CAS 122276-81-7), with molecular formula C24H30N8O10S2 and molecular weight 654.15 g/mol. IUPAC: 1-[(4-methoxy-3-nitrophenyl)methyl]-3-[(Z)-[(1E,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-[(4-methoxy-3-nitrophenyl)methylcarbamothioylhydrazinylidene]hexan-2-ylidene]amino]thiourea.
Chemical Property Profile of RefChem:1082856
Property Insights of RefChem:1082856
The XLogP value of -0.4346 indicates that RefChem:1082856 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 258.5 Ų indicates high polarity, suggesting RefChem:1082856 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1082856 has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1082856?
The CAS number of RefChem:1082856 is 122276-81-7.
What is the molecular formula of RefChem:1082856?
The molecular formula of RefChem:1082856 is C24H30N8O10S2.
What is the molecular weight of RefChem:1082856?
The molecular weight of RefChem:1082856 is 654.15 g/mol.
Where can I buy RefChem:1082856?
You can request a quote for RefChem:1082856 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1082856?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1082856 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.