1-(2-(2,4-Dimethylphenoxy)acetyl)-4-phenylthiosemicarbazide
TL;DR: 1-(2-(2,4-Dimethylphenoxy)acetyl)-4-phenylthiosemicarbazide (CAS 650630-68-5) is a chemical compound with molecular formula C17H19N3O2S and molecular weight 329.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-phenylthiourea
Also Known As: 2-(2,4-dimethylphenoxy)-N-[(phenylcarbamothioyl)amino]acetamide, 1-(2-(2,4-Dimethylphenoxy)acetyl)-4-phenylthiosemicarbazide, 1-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-phenylthiourea, 1-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-phenyl-thiourea, 3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-1-phenyl-thiourea
| Molecular Formula | C17H19N3O2S |
|---|---|
| Molecular Weight | 329.12 g/mol |
| LogP | 2.70004 |
| Topological Polar Surface Area | 62.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.1198 |
| Heavy Atoms | 23 |
| Complexity | 689.49274 |
Chemical Identifiers
| CAS Number | 650630-68-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC2=CC=CC=C2)C |
Product Overview
1-(2-(2,4-Dimethylphenoxy)acetyl)-4-phenylthiosemicarbazide (CAS 650630-68-5), with molecular formula C17H19N3O2S and molecular weight 329.12 g/mol. IUPAC: 1-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-phenylthiourea.
Chemical Property Profile of 1-(2-(2,4-Dimethylphenoxy)acetyl)-4-phenylthiosemicarbazide
Property Insights of 1-(2-(2,4-Dimethylphenoxy)acetyl)-4-phenylthiosemicarbazide
The XLogP value of 2.70004 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-(2,4-Dimethylphenoxy)acetyl)-4-phenylthiosemicarbazide. The TPSA of 62.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-(2,4-Dimethylphenoxy)acetyl)-4-phenylthiosemicarbazide. Following Lipinski's Rule of Five, 1-(2-(2,4-Dimethylphenoxy)acetyl)-4-phenylthiosemicarbazide 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 1-(2-(2,4-Dimethylphenoxy)acetyl)-4-phenylthiosemicarbazide?
The CAS number of 1-(2-(2,4-Dimethylphenoxy)acetyl)-4-phenylthiosemicarbazide is 650630-68-5.
What is the molecular formula of 1-(2-(2,4-Dimethylphenoxy)acetyl)-4-phenylthiosemicarbazide?
The molecular formula of 1-(2-(2,4-Dimethylphenoxy)acetyl)-4-phenylthiosemicarbazide is C17H19N3O2S.
What is the molecular weight of 1-(2-(2,4-Dimethylphenoxy)acetyl)-4-phenylthiosemicarbazide?
The molecular weight of 1-(2-(2,4-Dimethylphenoxy)acetyl)-4-phenylthiosemicarbazide is 329.12 g/mol.
Where can I buy 1-(2-(2,4-Dimethylphenoxy)acetyl)-4-phenylthiosemicarbazide?
You can request a quote for 1-(2-(2,4-Dimethylphenoxy)acetyl)-4-phenylthiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(2,4-Dimethylphenoxy)acetyl)-4-phenylthiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(2,4-Dimethylphenoxy)acetyl)-4-phenylthiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.