(2-Nitroaniline-N-ethyldithio)-2-(pyridyl-5-thioureido-N'-(5-fluorescein))
TL;DR: (2-Nitroaniline-N-ethyldithio)-2-(pyridyl-5-thioureido-N'-(5-fluorescein)) (CAS 101613-93-8) is a chemical compound with molecular formula C34H25N5O7S3 and molecular weight 711.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)-3-[6-[2-(2-nitroanilino)ethyldisulfanyl]-3-pyridinyl]thiourea
Also Known As: Farssalc, (2-Nitroaniline-N-ethyldithio)-2-(pyridyl-5-thioureido-N'-(5-fluorescein)), 1-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)-3-[6-[2-(2-nitroanilino)ethyldisulfanyl]pyridin-3-yl]thiourea, N-(3',6'-Dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-5-yl)-N'-(6-((2-((2-nitrophenyl)amino)ethyl)dithio)-3-pyridinyl)thiourea, N-(3',6'-Dihydroxy-3-oxo-3H-spiro[[2]benzofuran-1,9'-xanthen]-5-yl)-N'-(6-{[2-(2-nitroanilino)ethyl]disulfanyl}pyridin-3-yl)thiourea
| Molecular Formula | C34H25N5O7S3 |
|---|---|
| Molecular Weight | 711.09 g/mol |
| LogP | 7.6303 |
| Topological Polar Surface Area | 168.11 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 711.0916 |
| Heavy Atoms | 49 |
| Complexity | 2079.175 |
Chemical Identifiers
| CAS Number | 101613-93-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NCCSSC2=NC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)C5(C6=C(C=C(C=C6)O)OC7=C5C=CC(=C7)O)OC4=O)[N+](=O)[O-] |
Product Overview
(2-Nitroaniline-N-ethyldithio)-2-(pyridyl-5-thioureido-N'-(5-fluorescein)) (CAS 101613-93-8), with molecular formula C34H25N5O7S3 and molecular weight 711.09 g/mol. IUPAC: 1-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)-3-[6-[2-(2-nitroanilino)ethyldisulfanyl]-3-pyridinyl]thiourea.
Chemical Property Profile of (2-Nitroaniline-N-ethyldithio)-2-(pyridyl-5-thioureido-N'-(5-fluorescein))
Property Insights of (2-Nitroaniline-N-ethyldithio)-2-(pyridyl-5-thioureido-N'-(5-fluorescein))
The XLogP value of 7.6303 indicates that (2-Nitroaniline-N-ethyldithio)-2-(pyridyl-5-thioureido-N'-(5-fluorescein)) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 168.11 Ų indicates high polarity, suggesting (2-Nitroaniline-N-ethyldithio)-2-(pyridyl-5-thioureido-N'-(5-fluorescein)) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2-Nitroaniline-N-ethyldithio)-2-(pyridyl-5-thioureido-N'-(5-fluorescein)) has 5 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 (2-Nitroaniline-N-ethyldithio)-2-(pyridyl-5-thioureido-N'-(5-fluorescein))?
The CAS number of (2-Nitroaniline-N-ethyldithio)-2-(pyridyl-5-thioureido-N'-(5-fluorescein)) is 101613-93-8.
What is the molecular formula of (2-Nitroaniline-N-ethyldithio)-2-(pyridyl-5-thioureido-N'-(5-fluorescein))?
The molecular formula of (2-Nitroaniline-N-ethyldithio)-2-(pyridyl-5-thioureido-N'-(5-fluorescein)) is C34H25N5O7S3.
What is the molecular weight of (2-Nitroaniline-N-ethyldithio)-2-(pyridyl-5-thioureido-N'-(5-fluorescein))?
The molecular weight of (2-Nitroaniline-N-ethyldithio)-2-(pyridyl-5-thioureido-N'-(5-fluorescein)) is 711.09 g/mol.
Where can I buy (2-Nitroaniline-N-ethyldithio)-2-(pyridyl-5-thioureido-N'-(5-fluorescein))?
You can request a quote for (2-Nitroaniline-N-ethyldithio)-2-(pyridyl-5-thioureido-N'-(5-fluorescein)) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Nitroaniline-N-ethyldithio)-2-(pyridyl-5-thioureido-N'-(5-fluorescein))?
Yes, KEHONG BIO provides custom synthesis services for (2-Nitroaniline-N-ethyldithio)-2-(pyridyl-5-thioureido-N'-(5-fluorescein)) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.