![1-[2-(4-Chloro-3,5-dimethylphenoxy)propanoylamino]-3-methylthiourea structure](/static/products/5886/588672-92-8.webp)
1-[2-(4-Chloro-3,5-dimethylphenoxy)propanoylamino]-3-methylthiourea
TL;DR: 1-[2-(4-Chloro-3,5-dimethylphenoxy)propanoylamino]-3-methylthiourea (CAS 588672-92-8) is a chemical compound with molecular formula C13H18ClN3O2S and molecular weight 315.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]-3-methylthiourea
Also Known As: 1-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]-3-methylthiourea, 2-[2-(4-chloro-3,5-dimethylphenoxy)propanoyl]-N-methylhydrazinecarbothioamide, 1-[2-(4-chloro-3,5-dimethyl-phenoxy)propanoylamino]-3-methyl-thiourea, 2-(4-chloro-3,5-dimethylphenoxy)-N-{[(methylamino)thioxomethyl]amino}propanami de
| Molecular Formula | C13H18ClN3O2S |
|---|---|
| Molecular Weight | 315.08 g/mol |
| LogP | 1.84924 |
| Topological Polar Surface Area | 62.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.0808 |
| Heavy Atoms | 20 |
| Complexity | 499.3329 |
Chemical Identifiers
| CAS Number | 588672-92-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Cl)C)OC(C)C(=O)NNC(=S)NC |
Product Overview
1-[2-(4-Chloro-3,5-dimethylphenoxy)propanoylamino]-3-methylthiourea (CAS 588672-92-8), with molecular formula C13H18ClN3O2S and molecular weight 315.08 g/mol. IUPAC: 1-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]-3-methylthiourea.
Chemical Property Profile of 1-[2-(4-Chloro-3,5-dimethylphenoxy)propanoylamino]-3-methylthiourea
Property Insights of 1-[2-(4-Chloro-3,5-dimethylphenoxy)propanoylamino]-3-methylthiourea
The XLogP value of 1.84924 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-(4-Chloro-3,5-dimethylphenoxy)propanoylamino]-3-methylthiourea. The TPSA of 62.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-(4-Chloro-3,5-dimethylphenoxy)propanoylamino]-3-methylthiourea. Following Lipinski's Rule of Five, 1-[2-(4-Chloro-3,5-dimethylphenoxy)propanoylamino]-3-methylthiourea 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-(4-Chloro-3,5-dimethylphenoxy)propanoylamino]-3-methylthiourea?
The CAS number of 1-[2-(4-Chloro-3,5-dimethylphenoxy)propanoylamino]-3-methylthiourea is 588672-92-8.
What is the molecular formula of 1-[2-(4-Chloro-3,5-dimethylphenoxy)propanoylamino]-3-methylthiourea?
The molecular formula of 1-[2-(4-Chloro-3,5-dimethylphenoxy)propanoylamino]-3-methylthiourea is C13H18ClN3O2S.
What is the molecular weight of 1-[2-(4-Chloro-3,5-dimethylphenoxy)propanoylamino]-3-methylthiourea?
The molecular weight of 1-[2-(4-Chloro-3,5-dimethylphenoxy)propanoylamino]-3-methylthiourea is 315.08 g/mol.
Where can I buy 1-[2-(4-Chloro-3,5-dimethylphenoxy)propanoylamino]-3-methylthiourea?
You can request a quote for 1-[2-(4-Chloro-3,5-dimethylphenoxy)propanoylamino]-3-methylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-(4-Chloro-3,5-dimethylphenoxy)propanoylamino]-3-methylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(4-Chloro-3,5-dimethylphenoxy)propanoylamino]-3-methylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.