1-(3,4-Dimethoxyphenyl)-3-(4-methyl-2-nitrophenyl)thiourea
TL;DR: 1-(3,4-Dimethoxyphenyl)-3-(4-methyl-2-nitrophenyl)thiourea (CAS 701282-95-3) is a chemical compound with molecular formula C16H17N3O4S and molecular weight 347.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethoxyphenyl)-3-(4-methyl-2-nitrophenyl)thiourea
Also Known As: 1-(3,4-dimethoxyphenyl)-3-(4-methyl-2-nitrophenyl)thiourea, [(3,4-dimethoxyphenyl)amino][(4-methyl-2-nitrophenyl)amino]methane-1-thione
| Molecular Formula | C16H17N3O4S |
|---|---|
| Molecular Weight | 347.09 g/mol |
| LogP | 3.72932 |
| Topological Polar Surface Area | 85.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.09396 |
| Heavy Atoms | 24 |
| Complexity | 779.913 |
Chemical Identifiers
| CAS Number | 701282-95-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=S)NC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-] |
Product Overview
1-(3,4-Dimethoxyphenyl)-3-(4-methyl-2-nitrophenyl)thiourea (CAS 701282-95-3), with molecular formula C16H17N3O4S and molecular weight 347.09 g/mol. IUPAC: 1-(3,4-dimethoxyphenyl)-3-(4-methyl-2-nitrophenyl)thiourea.
Chemical Property Profile of 1-(3,4-Dimethoxyphenyl)-3-(4-methyl-2-nitrophenyl)thiourea
Property Insights of 1-(3,4-Dimethoxyphenyl)-3-(4-methyl-2-nitrophenyl)thiourea
The XLogP value of 3.72932 indicates that 1-(3,4-Dimethoxyphenyl)-3-(4-methyl-2-nitrophenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-Dimethoxyphenyl)-3-(4-methyl-2-nitrophenyl)thiourea. Following Lipinski's Rule of Five, 1-(3,4-Dimethoxyphenyl)-3-(4-methyl-2-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-(3,4-Dimethoxyphenyl)-3-(4-methyl-2-nitrophenyl)thiourea?
The CAS number of 1-(3,4-Dimethoxyphenyl)-3-(4-methyl-2-nitrophenyl)thiourea is 701282-95-3.
What is the molecular formula of 1-(3,4-Dimethoxyphenyl)-3-(4-methyl-2-nitrophenyl)thiourea?
The molecular formula of 1-(3,4-Dimethoxyphenyl)-3-(4-methyl-2-nitrophenyl)thiourea is C16H17N3O4S.
What is the molecular weight of 1-(3,4-Dimethoxyphenyl)-3-(4-methyl-2-nitrophenyl)thiourea?
The molecular weight of 1-(3,4-Dimethoxyphenyl)-3-(4-methyl-2-nitrophenyl)thiourea is 347.09 g/mol.
Where can I buy 1-(3,4-Dimethoxyphenyl)-3-(4-methyl-2-nitrophenyl)thiourea?
You can request a quote for 1-(3,4-Dimethoxyphenyl)-3-(4-methyl-2-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-(3,4-Dimethoxyphenyl)-3-(4-methyl-2-nitrophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethoxyphenyl)-3-(4-methyl-2-nitrophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.