3-Butyl-1-((3,5-dimethylisoxazol-4-yl)methyl)-1-phenylthiourea
TL;DR: 3-Butyl-1-((3,5-dimethylisoxazol-4-yl)methyl)-1-phenylthiourea (CAS 745793-08-2) is a chemical compound with molecular formula C17H23N3OS and molecular weight 317.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylthiourea
Also Known As: 3-Butyl-1-((3,5-dimethylisoxazol-4-yl)methyl)-1-phenylthiourea, 3-butyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylthiourea
| Molecular Formula | C17H23N3OS |
|---|---|
| Molecular Weight | 317.16 g/mol |
| LogP | 3.97264 |
| Topological Polar Surface Area | 41.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.1562 |
| Heavy Atoms | 22 |
| Complexity | 590.1215 |
Chemical Identifiers
| CAS Number | 745793-08-2 |
|---|---|
| SMILES | CCCCNC(=S)N(CC1=C(ON=C1C)C)C2=CC=CC=C2 |
Product Overview
3-Butyl-1-((3,5-dimethylisoxazol-4-yl)methyl)-1-phenylthiourea (CAS 745793-08-2), with molecular formula C17H23N3OS and molecular weight 317.16 g/mol. IUPAC: 3-butyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylthiourea.
Chemical Property Profile of 3-Butyl-1-((3,5-dimethylisoxazol-4-yl)methyl)-1-phenylthiourea
Property Insights of 3-Butyl-1-((3,5-dimethylisoxazol-4-yl)methyl)-1-phenylthiourea
The XLogP value of 3.97264 indicates that 3-Butyl-1-((3,5-dimethylisoxazol-4-yl)methyl)-1-phenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.3 Ų, 3-Butyl-1-((3,5-dimethylisoxazol-4-yl)methyl)-1-phenylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyl-1-((3,5-dimethylisoxazol-4-yl)methyl)-1-phenylthiourea has 1 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 3-Butyl-1-((3,5-dimethylisoxazol-4-yl)methyl)-1-phenylthiourea?
The CAS number of 3-Butyl-1-((3,5-dimethylisoxazol-4-yl)methyl)-1-phenylthiourea is 745793-08-2.
What is the molecular formula of 3-Butyl-1-((3,5-dimethylisoxazol-4-yl)methyl)-1-phenylthiourea?
The molecular formula of 3-Butyl-1-((3,5-dimethylisoxazol-4-yl)methyl)-1-phenylthiourea is C17H23N3OS.
What is the molecular weight of 3-Butyl-1-((3,5-dimethylisoxazol-4-yl)methyl)-1-phenylthiourea?
The molecular weight of 3-Butyl-1-((3,5-dimethylisoxazol-4-yl)methyl)-1-phenylthiourea is 317.16 g/mol.
Where can I buy 3-Butyl-1-((3,5-dimethylisoxazol-4-yl)methyl)-1-phenylthiourea?
You can request a quote for 3-Butyl-1-((3,5-dimethylisoxazol-4-yl)methyl)-1-phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butyl-1-((3,5-dimethylisoxazol-4-yl)methyl)-1-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyl-1-((3,5-dimethylisoxazol-4-yl)methyl)-1-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.