2-(1,3-benzodioxol-5-ylcarbonyl)-N-isobutylhydrazinecarbothioamide
TL;DR: 2-(1,3-benzodioxol-5-ylcarbonyl)-N-isobutylhydrazinecarbothioamide (CAS 522597-12-2) is a chemical compound with molecular formula C13H17N3O3S and molecular weight 295.10 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-methylpropyl)thiourea
Also Known As: 1-isobutyl-3-(piperonyloylamino)thiourea, 1-(1,3-benzodioxole-5-carbonylamino)-3-(2-methylpropyl)thiourea, 2-(1,3-benzodioxol-5-ylcarbonyl)-N-isobutylhydrazinecarbothioamide, 1-(1,3-benzodioxol-5-ylcarbonylamino)-3-(2-methylpropyl)thiourea, 1-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-(2-methylpropyl)thiourea
| Molecular Formula | C13H17N3O3S |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 1.1802 |
| Topological Polar Surface Area | 71.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.09906 |
| Heavy Atoms | 20 |
| Complexity | 519.5829 |
Chemical Identifiers
| CAS Number | 522597-12-2 |
|---|---|
| SMILES | CC(C)CNC(=S)NNC(=O)C1=CC2=C(C=C1)OCO2 |
Product Overview
2-(1,3-benzodioxol-5-ylcarbonyl)-N-isobutylhydrazinecarbothioamide (CAS 522597-12-2), with molecular formula C13H17N3O3S and molecular weight 295.10 g/mol. IUPAC: 1-(1,3-benzodioxole-5-carbonylamino)-3-(2-methylpropyl)thiourea.
Chemical Property Profile of 2-(1,3-benzodioxol-5-ylcarbonyl)-N-isobutylhydrazinecarbothioamide
Property Insights of 2-(1,3-benzodioxol-5-ylcarbonyl)-N-isobutylhydrazinecarbothioamide
The XLogP value of 1.1802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-benzodioxol-5-ylcarbonyl)-N-isobutylhydrazinecarbothioamide. The TPSA of 71.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzodioxol-5-ylcarbonyl)-N-isobutylhydrazinecarbothioamide. Following Lipinski's Rule of Five, 2-(1,3-benzodioxol-5-ylcarbonyl)-N-isobutylhydrazinecarbothioamide 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-isobutylhydrazinecarbothioamide?
The CAS number of 2-(1,3-benzodioxol-5-ylcarbonyl)-N-isobutylhydrazinecarbothioamide is 522597-12-2.
What is the molecular formula of 2-(1,3-benzodioxol-5-ylcarbonyl)-N-isobutylhydrazinecarbothioamide?
The molecular formula of 2-(1,3-benzodioxol-5-ylcarbonyl)-N-isobutylhydrazinecarbothioamide is C13H17N3O3S.
What is the molecular weight of 2-(1,3-benzodioxol-5-ylcarbonyl)-N-isobutylhydrazinecarbothioamide?
The molecular weight of 2-(1,3-benzodioxol-5-ylcarbonyl)-N-isobutylhydrazinecarbothioamide is 295.10 g/mol.
Where can I buy 2-(1,3-benzodioxol-5-ylcarbonyl)-N-isobutylhydrazinecarbothioamide?
You can request a quote for 2-(1,3-benzodioxol-5-ylcarbonyl)-N-isobutylhydrazinecarbothioamide 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-isobutylhydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzodioxol-5-ylcarbonyl)-N-isobutylhydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.