2-((4-Tert-butylphenoxy)acetyl)-N-phenylhydrazinecarbothioamide
TL;DR: 2-((4-Tert-butylphenoxy)acetyl)-N-phenylhydrazinecarbothioamide (CAS 52939-38-5) is a chemical compound with molecular formula C19H23N3O2S and molecular weight 357.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-phenylthiourea
Also Known As: 2-((4-tert-butylphenoxy)acetyl)-n-phenylhydrazinecarbothioamide, 2-[(4-tert-butylphenoxy)acetyl]-N-phenylhydrazinecarbothioamide, 1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-phenylthiourea, A2686/0114512, Semicarbazide, 1-(4-tert-butyl-phenoxy)-acetyl-4-phenyl-3-thia-
| Molecular Formula | C19H23N3O2S |
|---|---|
| Molecular Weight | 357.15 g/mol |
| LogP | 3.3807 |
| Topological Polar Surface Area | 62.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.1511 |
| Heavy Atoms | 25 |
| Complexity | 709.6991 |
Chemical Identifiers
| CAS Number | 52939-38-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC2=CC=CC=C2 |
Product Overview
2-((4-Tert-butylphenoxy)acetyl)-N-phenylhydrazinecarbothioamide (CAS 52939-38-5), with molecular formula C19H23N3O2S and molecular weight 357.15 g/mol. IUPAC: 1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-phenylthiourea.
Chemical Property Profile of 2-((4-Tert-butylphenoxy)acetyl)-N-phenylhydrazinecarbothioamide
Property Insights of 2-((4-Tert-butylphenoxy)acetyl)-N-phenylhydrazinecarbothioamide
The XLogP value of 3.3807 indicates that 2-((4-Tert-butylphenoxy)acetyl)-N-phenylhydrazinecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Tert-butylphenoxy)acetyl)-N-phenylhydrazinecarbothioamide. Following Lipinski's Rule of Five, 2-((4-Tert-butylphenoxy)acetyl)-N-phenylhydrazinecarbothioamide has 3 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 2-((4-Tert-butylphenoxy)acetyl)-N-phenylhydrazinecarbothioamide?
The CAS number of 2-((4-Tert-butylphenoxy)acetyl)-N-phenylhydrazinecarbothioamide is 52939-38-5.
What is the molecular formula of 2-((4-Tert-butylphenoxy)acetyl)-N-phenylhydrazinecarbothioamide?
The molecular formula of 2-((4-Tert-butylphenoxy)acetyl)-N-phenylhydrazinecarbothioamide is C19H23N3O2S.
What is the molecular weight of 2-((4-Tert-butylphenoxy)acetyl)-N-phenylhydrazinecarbothioamide?
The molecular weight of 2-((4-Tert-butylphenoxy)acetyl)-N-phenylhydrazinecarbothioamide is 357.15 g/mol.
Where can I buy 2-((4-Tert-butylphenoxy)acetyl)-N-phenylhydrazinecarbothioamide?
You can request a quote for 2-((4-Tert-butylphenoxy)acetyl)-N-phenylhydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Tert-butylphenoxy)acetyl)-N-phenylhydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Tert-butylphenoxy)acetyl)-N-phenylhydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.