![1-(2,1,3-Benzoxadiazol-4-yl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea structure](/static/products/1005/1005690-39-0.webp)
1-(2,1,3-Benzoxadiazol-4-yl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea
TL;DR: 1-(2,1,3-Benzoxadiazol-4-yl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea (CAS 1005690-39-0) is a chemical compound with molecular formula C18H16N6OS and molecular weight 364.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,1,3-benzoxadiazol-4-yl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea
Also Known As: 1-(2,1,3-benzoxadiazol-4-yl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea, 1-(2,1,3-benzoxadiazol-4-yl)-3-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]thiourea, N-(2,1,3-BENZOXADIAZOL-4-YL)-N'-[1-(2-METHYLBENZYL)-1H-PYRAZOL-4-YL]THIOUREA, (benzo[c]1,2,5-oxadiazol-4-ylamino)({1-[(2-methylphenyl)methyl]pyrazol-4-yl}am ino)methane-1-thione
| Molecular Formula | C18H16N6OS |
|---|---|
| Molecular Weight | 364.11 g/mol |
| LogP | 3.58492 |
| Topological Polar Surface Area | 80.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.11063 |
| Heavy Atoms | 26 |
| Complexity | 1070.1866 |
Chemical Identifiers
| CAS Number | 1005690-39-0 |
|---|---|
| SMILES | CC1=CC=CC=C1CN2C=C(C=N2)NC(=S)NC3=CC=CC4=NON=C43 |
Product Overview
1-(2,1,3-Benzoxadiazol-4-yl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea (CAS 1005690-39-0), with molecular formula C18H16N6OS and molecular weight 364.11 g/mol. IUPAC: 1-(2,1,3-benzoxadiazol-4-yl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea.
Chemical Property Profile of 1-(2,1,3-Benzoxadiazol-4-yl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea
Property Insights of 1-(2,1,3-Benzoxadiazol-4-yl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea
The XLogP value of 3.58492 indicates that 1-(2,1,3-Benzoxadiazol-4-yl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,1,3-Benzoxadiazol-4-yl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea. Following Lipinski's Rule of Five, 1-(2,1,3-Benzoxadiazol-4-yl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]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-(2,1,3-Benzoxadiazol-4-yl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea?
The CAS number of 1-(2,1,3-Benzoxadiazol-4-yl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea is 1005690-39-0.
What is the molecular formula of 1-(2,1,3-Benzoxadiazol-4-yl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea?
The molecular formula of 1-(2,1,3-Benzoxadiazol-4-yl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea is C18H16N6OS.
What is the molecular weight of 1-(2,1,3-Benzoxadiazol-4-yl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea?
The molecular weight of 1-(2,1,3-Benzoxadiazol-4-yl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea is 364.11 g/mol.
Where can I buy 1-(2,1,3-Benzoxadiazol-4-yl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea?
You can request a quote for 1-(2,1,3-Benzoxadiazol-4-yl)-3-[1-[(2-methylphenyl)methyl]pyrazol-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-(2,1,3-Benzoxadiazol-4-yl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,1,3-Benzoxadiazol-4-yl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.