2-(1,3-benzodioxol-5-ylcarbonyl)-N-benzylhydrazinecarbothioamide
TL;DR: 2-(1,3-benzodioxol-5-ylcarbonyl)-N-benzylhydrazinecarbothioamide (CAS 52190-78-0) is a chemical compound with molecular formula C16H15N3O3S and molecular weight 329.08 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-benzylthiourea
Also Known As: J1.657.362K, 1-(1,3-benzodioxole-5-carbonylamino)-3-benzylthiourea, 2-(1,3-benzodioxol-5-ylcarbonyl)-N-benzylhydrazinecarbothioamide, N -(Benzyliminomercaptomethyl)-3,4-methylenedioxybenzhydrazide, N-{[benzylthio(carbonoimidyl)]amino}-2H-1,3-benzodioxole-5-carboxamide
| Molecular Formula | C16H15N3O3S |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | 1.7244 |
| Topological Polar Surface Area | 71.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.0834 |
| Heavy Atoms | 23 |
| Complexity | 721.7653 |
Chemical Identifiers
| CAS Number | 52190-78-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)NNC(=S)NCC3=CC=CC=C3 |
Product Overview
2-(1,3-benzodioxol-5-ylcarbonyl)-N-benzylhydrazinecarbothioamide (CAS 52190-78-0), with molecular formula C16H15N3O3S and molecular weight 329.08 g/mol. IUPAC: 1-(1,3-benzodioxole-5-carbonylamino)-3-benzylthiourea.
Chemical Property Profile of 2-(1,3-benzodioxol-5-ylcarbonyl)-N-benzylhydrazinecarbothioamide
Property Insights of 2-(1,3-benzodioxol-5-ylcarbonyl)-N-benzylhydrazinecarbothioamide
The XLogP value of 1.7244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-benzodioxol-5-ylcarbonyl)-N-benzylhydrazinecarbothioamide. The TPSA of 71.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzodioxol-5-ylcarbonyl)-N-benzylhydrazinecarbothioamide. Following Lipinski's Rule of Five, 2-(1,3-benzodioxol-5-ylcarbonyl)-N-benzylhydrazinecarbothioamide 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-benzylhydrazinecarbothioamide?
The CAS number of 2-(1,3-benzodioxol-5-ylcarbonyl)-N-benzylhydrazinecarbothioamide is 52190-78-0.
What is the molecular formula of 2-(1,3-benzodioxol-5-ylcarbonyl)-N-benzylhydrazinecarbothioamide?
The molecular formula of 2-(1,3-benzodioxol-5-ylcarbonyl)-N-benzylhydrazinecarbothioamide is C16H15N3O3S.
What is the molecular weight of 2-(1,3-benzodioxol-5-ylcarbonyl)-N-benzylhydrazinecarbothioamide?
The molecular weight of 2-(1,3-benzodioxol-5-ylcarbonyl)-N-benzylhydrazinecarbothioamide is 329.08 g/mol.
Where can I buy 2-(1,3-benzodioxol-5-ylcarbonyl)-N-benzylhydrazinecarbothioamide?
You can request a quote for 2-(1,3-benzodioxol-5-ylcarbonyl)-N-benzylhydrazinecarbothioamide 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-benzylhydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzodioxol-5-ylcarbonyl)-N-benzylhydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.