1-(5-Methyl-3-isoxazolyl)-3-phenylthiourea
TL;DR: 1-(5-Methyl-3-isoxazolyl)-3-phenylthiourea (CAS 64821-97-2) is a chemical compound with molecular formula C11H11N3OS and molecular weight 233.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-methyl-1,2-oxazol-3-yl)-3-phenylthiourea
Also Known As: 1-(5-methyl-3-isoxazolyl)-3-phenylthiourea, 1-(5-methyl-1,2-oxazol-3-yl)-3-phenylthiourea, 1-(5-methylisoxazol-3-yl)-3-phenylthio-urea, [(5-methylisoxazol-3-yl)amino](phenylamino)methane-1-thione
| Molecular Formula | C11H11N3OS |
|---|---|
| Molecular Weight | 233.06 g/mol |
| LogP | 2.79192 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.06229 |
| Heavy Atoms | 16 |
| Complexity | 480.9847 |
Chemical Identifiers
| CAS Number | 64821-97-2 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=S)NC2=CC=CC=C2 |
Product Overview
1-(5-Methyl-3-isoxazolyl)-3-phenylthiourea (CAS 64821-97-2), with molecular formula C11H11N3OS and molecular weight 233.06 g/mol. IUPAC: 1-(5-methyl-1,2-oxazol-3-yl)-3-phenylthiourea.
Chemical Property Profile of 1-(5-Methyl-3-isoxazolyl)-3-phenylthiourea
Property Insights of 1-(5-Methyl-3-isoxazolyl)-3-phenylthiourea
The XLogP value of 2.79192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Methyl-3-isoxazolyl)-3-phenylthiourea. With a topological polar surface area (TPSA) of 50.09 Ų, 1-(5-Methyl-3-isoxazolyl)-3-phenylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Methyl-3-isoxazolyl)-3-phenylthiourea 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-(5-Methyl-3-isoxazolyl)-3-phenylthiourea?
The CAS number of 1-(5-Methyl-3-isoxazolyl)-3-phenylthiourea is 64821-97-2.
What is the molecular formula of 1-(5-Methyl-3-isoxazolyl)-3-phenylthiourea?
The molecular formula of 1-(5-Methyl-3-isoxazolyl)-3-phenylthiourea is C11H11N3OS.
What is the molecular weight of 1-(5-Methyl-3-isoxazolyl)-3-phenylthiourea?
The molecular weight of 1-(5-Methyl-3-isoxazolyl)-3-phenylthiourea is 233.06 g/mol.
Where can I buy 1-(5-Methyl-3-isoxazolyl)-3-phenylthiourea?
You can request a quote for 1-(5-Methyl-3-isoxazolyl)-3-phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Methyl-3-isoxazolyl)-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Methyl-3-isoxazolyl)-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.