1-(4-Nitrophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea
TL;DR: 1-(4-Nitrophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea (CAS 901277-27-8) is a chemical compound with molecular formula C13H15N5O2S and molecular weight 305.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea
Also Known As: 1-(4-nitrophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea, [(4-nitrophenyl)amino][(1,3,5-trimethylpyrazol-4-yl)amino]methane-1-thione
| Molecular Formula | C13H15N5O2S |
|---|---|
| Molecular Weight | 305.09 g/mol |
| LogP | 2.75404 |
| Topological Polar Surface Area | 85.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.09464 |
| Heavy Atoms | 21 |
| Complexity | 693.33234 |
Chemical Identifiers
| CAS Number | 901277-27-8 |
|---|---|
| SMILES | CC1=C(C(=NN1C)C)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
1-(4-Nitrophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea (CAS 901277-27-8), with molecular formula C13H15N5O2S and molecular weight 305.09 g/mol. IUPAC: 1-(4-nitrophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea.
Chemical Property Profile of 1-(4-Nitrophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea
Property Insights of 1-(4-Nitrophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea
The XLogP value of 2.75404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitrophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea. The TPSA of 85.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitrophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea. Following Lipinski's Rule of Five, 1-(4-Nitrophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea has 2 hydrogen bond donor(s) and 4 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-(4-Nitrophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea?
The CAS number of 1-(4-Nitrophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea is 901277-27-8.
What is the molecular formula of 1-(4-Nitrophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea?
The molecular formula of 1-(4-Nitrophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea is C13H15N5O2S.
What is the molecular weight of 1-(4-Nitrophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea?
The molecular weight of 1-(4-Nitrophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea is 305.09 g/mol.
Where can I buy 1-(4-Nitrophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea?
You can request a quote for 1-(4-Nitrophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitrophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.