1-Cyclopentyl-3-(2-methyl-4-nitrophenyl)thiourea
TL;DR: 1-Cyclopentyl-3-(2-methyl-4-nitrophenyl)thiourea (CAS 706774-71-2) is a chemical compound with molecular formula C13H17N3O2S and molecular weight 279.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopentyl-3-(2-methyl-4-nitrophenyl)thiourea
Also Known As: 1-cyclopentyl-3-(2-methyl-4-nitrophenyl)thiourea, (cyclopentylamino)[(2-methyl-4-nitrophenyl)amino]methane-1-thione
| Molecular Formula | C13H17N3O2S |
|---|---|
| Molecular Weight | 279.10 g/mol |
| LogP | 3.13222 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.10416 |
| Heavy Atoms | 19 |
| Complexity | 498.66174 |
Chemical Identifiers
| CAS Number | 706774-71-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2CCCC2 |
Product Overview
1-Cyclopentyl-3-(2-methyl-4-nitrophenyl)thiourea (CAS 706774-71-2), with molecular formula C13H17N3O2S and molecular weight 279.10 g/mol. IUPAC: 1-cyclopentyl-3-(2-methyl-4-nitrophenyl)thiourea.
Chemical Property Profile of 1-Cyclopentyl-3-(2-methyl-4-nitrophenyl)thiourea
Property Insights of 1-Cyclopentyl-3-(2-methyl-4-nitrophenyl)thiourea
The XLogP value of 3.13222 indicates that 1-Cyclopentyl-3-(2-methyl-4-nitrophenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Cyclopentyl-3-(2-methyl-4-nitrophenyl)thiourea. Following Lipinski's Rule of Five, 1-Cyclopentyl-3-(2-methyl-4-nitrophenyl)thiourea has 2 hydrogen bond donor(s) and 3 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-Cyclopentyl-3-(2-methyl-4-nitrophenyl)thiourea?
The CAS number of 1-Cyclopentyl-3-(2-methyl-4-nitrophenyl)thiourea is 706774-71-2.
What is the molecular formula of 1-Cyclopentyl-3-(2-methyl-4-nitrophenyl)thiourea?
The molecular formula of 1-Cyclopentyl-3-(2-methyl-4-nitrophenyl)thiourea is C13H17N3O2S.
What is the molecular weight of 1-Cyclopentyl-3-(2-methyl-4-nitrophenyl)thiourea?
The molecular weight of 1-Cyclopentyl-3-(2-methyl-4-nitrophenyl)thiourea is 279.10 g/mol.
Where can I buy 1-Cyclopentyl-3-(2-methyl-4-nitrophenyl)thiourea?
You can request a quote for 1-Cyclopentyl-3-(2-methyl-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-Cyclopentyl-3-(2-methyl-4-nitrophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyclopentyl-3-(2-methyl-4-nitrophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.