2-(1,3-benzodioxol-5-ylcarbonyl)-N-(2,5-dimethylphenyl)hydrazinecarbothioamide
TL;DR: 2-(1,3-benzodioxol-5-ylcarbonyl)-N-(2,5-dimethylphenyl)hydrazinecarbothioamide (CAS 438234-90-3) is a chemical compound with molecular formula C17H17N3O3S and molecular weight 343.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxole-5-carbonylamino)-3-(2,5-dimethylphenyl)thiourea
Also Known As: 2-(1,3-benzodioxol-5-ylcarbonyl)-N-(2,5-dimethylphenyl)hydrazinecarbothioamide, 1,3-Benzodioxole-5-carboxylic acid, 2-[[(2,5-dimethylphenyl)amino]thioxomethyl]hydrazide, 1-(1,3-benzodioxole-5-carbonylamino)-3-(2,5-dimethylphenyl)thiourea, 3-(benzo[1,3]dioxole-5-carbonylamino)-1-(2,5-dimethylphenyl)thiourea, 2-(2H-1,3-Benzodioxole-5-carbonyl)-N-(2,5-dimethylphenyl)hydrazine-1-carbothioamide
| Molecular Formula | C17H17N3O3S |
|---|---|
| Molecular Weight | 343.10 g/mol |
| LogP | 2.66354 |
| Topological Polar Surface Area | 71.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.09906 |
| Heavy Atoms | 24 |
| Complexity | 807.6629 |
Chemical Identifiers
| CAS Number | 438234-90-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=S)NNC(=O)C2=CC3=C(C=C2)OCO3 |
Product Overview
2-(1,3-benzodioxol-5-ylcarbonyl)-N-(2,5-dimethylphenyl)hydrazinecarbothioamide (CAS 438234-90-3), with molecular formula C17H17N3O3S and molecular weight 343.10 g/mol. IUPAC: 1-(1,3-benzodioxole-5-carbonylamino)-3-(2,5-dimethylphenyl)thiourea.
Chemical Property Profile of 2-(1,3-benzodioxol-5-ylcarbonyl)-N-(2,5-dimethylphenyl)hydrazinecarbothioamide
Property Insights of 2-(1,3-benzodioxol-5-ylcarbonyl)-N-(2,5-dimethylphenyl)hydrazinecarbothioamide
The XLogP value of 2.66354 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-benzodioxol-5-ylcarbonyl)-N-(2,5-dimethylphenyl)hydrazinecarbothioamide. The TPSA of 71.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzodioxol-5-ylcarbonyl)-N-(2,5-dimethylphenyl)hydrazinecarbothioamide. Following Lipinski's Rule of Five, 2-(1,3-benzodioxol-5-ylcarbonyl)-N-(2,5-dimethylphenyl)hydrazinecarbothioamide has 3 hydrogen bond donor(s) and 4 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-(1,3-benzodioxol-5-ylcarbonyl)-N-(2,5-dimethylphenyl)hydrazinecarbothioamide?
The CAS number of 2-(1,3-benzodioxol-5-ylcarbonyl)-N-(2,5-dimethylphenyl)hydrazinecarbothioamide is 438234-90-3.
What is the molecular formula of 2-(1,3-benzodioxol-5-ylcarbonyl)-N-(2,5-dimethylphenyl)hydrazinecarbothioamide?
The molecular formula of 2-(1,3-benzodioxol-5-ylcarbonyl)-N-(2,5-dimethylphenyl)hydrazinecarbothioamide is C17H17N3O3S.
What is the molecular weight of 2-(1,3-benzodioxol-5-ylcarbonyl)-N-(2,5-dimethylphenyl)hydrazinecarbothioamide?
The molecular weight of 2-(1,3-benzodioxol-5-ylcarbonyl)-N-(2,5-dimethylphenyl)hydrazinecarbothioamide is 343.10 g/mol.
Where can I buy 2-(1,3-benzodioxol-5-ylcarbonyl)-N-(2,5-dimethylphenyl)hydrazinecarbothioamide?
You can request a quote for 2-(1,3-benzodioxol-5-ylcarbonyl)-N-(2,5-dimethylphenyl)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-benzodioxol-5-ylcarbonyl)-N-(2,5-dimethylphenyl)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzodioxol-5-ylcarbonyl)-N-(2,5-dimethylphenyl)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.