1-(2,2-Dimethoxyethyl)-3-(4-nitrophenyl)thiourea
TL;DR: 1-(2,2-Dimethoxyethyl)-3-(4-nitrophenyl)thiourea (CAS 403799-02-0) is a chemical compound with molecular formula C11H15N3O4S and molecular weight 285.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,2-dimethoxyethyl)-3-(4-nitrophenyl)thiourea
Also Known As: 1-(2,2-dimethoxyethyl)-3-(4-nitrophenyl)thiourea, N-(2,2-dimethoxyethyl)-N'-(4-nitrophenyl)thiourea, N-(2,2-dimethoxyethyl)-N'-{4-nitrophenyl}thiourea
| Molecular Formula | C11H15N3O4S |
|---|---|
| Molecular Weight | 285.08 g/mol |
| LogP | 1.5001 |
| Topological Polar Surface Area | 85.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 285.07834 |
| Heavy Atoms | 19 |
| Complexity | 434.07138 |
Chemical Identifiers
| CAS Number | 403799-02-0 |
|---|---|
| SMILES | COC(CNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-])OC |
Product Overview
1-(2,2-Dimethoxyethyl)-3-(4-nitrophenyl)thiourea (CAS 403799-02-0), with molecular formula C11H15N3O4S and molecular weight 285.08 g/mol. IUPAC: 1-(2,2-dimethoxyethyl)-3-(4-nitrophenyl)thiourea.
Chemical Property Profile of 1-(2,2-Dimethoxyethyl)-3-(4-nitrophenyl)thiourea
Property Insights of 1-(2,2-Dimethoxyethyl)-3-(4-nitrophenyl)thiourea
The XLogP value of 1.5001 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,2-Dimethoxyethyl)-3-(4-nitrophenyl)thiourea. The TPSA of 85.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,2-Dimethoxyethyl)-3-(4-nitrophenyl)thiourea. Following Lipinski's Rule of Five, 1-(2,2-Dimethoxyethyl)-3-(4-nitrophenyl)thiourea has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2,2-Dimethoxyethyl)-3-(4-nitrophenyl)thiourea?
The CAS number of 1-(2,2-Dimethoxyethyl)-3-(4-nitrophenyl)thiourea is 403799-02-0.
What is the molecular formula of 1-(2,2-Dimethoxyethyl)-3-(4-nitrophenyl)thiourea?
The molecular formula of 1-(2,2-Dimethoxyethyl)-3-(4-nitrophenyl)thiourea is C11H15N3O4S.
What is the molecular weight of 1-(2,2-Dimethoxyethyl)-3-(4-nitrophenyl)thiourea?
The molecular weight of 1-(2,2-Dimethoxyethyl)-3-(4-nitrophenyl)thiourea is 285.08 g/mol.
Where can I buy 1-(2,2-Dimethoxyethyl)-3-(4-nitrophenyl)thiourea?
You can request a quote for 1-(2,2-Dimethoxyethyl)-3-(4-nitrophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,2-Dimethoxyethyl)-3-(4-nitrophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,2-Dimethoxyethyl)-3-(4-nitrophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.