1-(1,3-Benzodioxole-5-carbonylamino)-3-(2-methoxy-4-nitrophenyl)thiourea
TL;DR: 1-(1,3-Benzodioxole-5-carbonylamino)-3-(2-methoxy-4-nitrophenyl)thiourea (CAS 706768-53-8) is a chemical compound with molecular formula C16H14N4O6S and molecular weight 390.06 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-methoxy-4-nitrophenyl)thiourea
Also Known As: 1-(1,3-benzodioxole-5-carbonylamino)-3-(2-methoxy-4-nitrophenyl)thiourea, 2-(1,3-benzodioxol-5-ylcarbonyl)-N-(2-methoxy-4-nitrophenyl)hydrazinecarbothioamide, 3-(benzo[1,3]dioxole-5-carbonylamino)-1-(2-methoxy-4-nitro-phenyl)thiourea, 2H-benzo[3,4-d]1,3-dioxolan-5-yl-N-({[(2-methoxy-4-nitrophenyl)amino]thioxomet hyl}amino)carboxamide
| Molecular Formula | C16H14N4O6S |
|---|---|
| Molecular Weight | 390.06 g/mol |
| LogP | 1.9635 |
| Topological Polar Surface Area | 123.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.06342 |
| Heavy Atoms | 27 |
| Complexity | 919.7787 |
Chemical Identifiers
| CAS Number | 706768-53-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NNC(=O)C2=CC3=C(C=C2)OCO3 |
Product Overview
1-(1,3-Benzodioxole-5-carbonylamino)-3-(2-methoxy-4-nitrophenyl)thiourea (CAS 706768-53-8), with molecular formula C16H14N4O6S and molecular weight 390.06 g/mol. IUPAC: 1-(1,3-benzodioxole-5-carbonylamino)-3-(2-methoxy-4-nitrophenyl)thiourea.
Chemical Property Profile of 1-(1,3-Benzodioxole-5-carbonylamino)-3-(2-methoxy-4-nitrophenyl)thiourea
Property Insights of 1-(1,3-Benzodioxole-5-carbonylamino)-3-(2-methoxy-4-nitrophenyl)thiourea
The XLogP value of 1.9635 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxole-5-carbonylamino)-3-(2-methoxy-4-nitrophenyl)thiourea. The TPSA of 123.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Benzodioxole-5-carbonylamino)-3-(2-methoxy-4-nitrophenyl)thiourea. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxole-5-carbonylamino)-3-(2-methoxy-4-nitrophenyl)thiourea has 3 hydrogen bond donor(s) and 7 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-(1,3-Benzodioxole-5-carbonylamino)-3-(2-methoxy-4-nitrophenyl)thiourea?
The CAS number of 1-(1,3-Benzodioxole-5-carbonylamino)-3-(2-methoxy-4-nitrophenyl)thiourea is 706768-53-8.
What is the molecular formula of 1-(1,3-Benzodioxole-5-carbonylamino)-3-(2-methoxy-4-nitrophenyl)thiourea?
The molecular formula of 1-(1,3-Benzodioxole-5-carbonylamino)-3-(2-methoxy-4-nitrophenyl)thiourea is C16H14N4O6S.
What is the molecular weight of 1-(1,3-Benzodioxole-5-carbonylamino)-3-(2-methoxy-4-nitrophenyl)thiourea?
The molecular weight of 1-(1,3-Benzodioxole-5-carbonylamino)-3-(2-methoxy-4-nitrophenyl)thiourea is 390.06 g/mol.
Where can I buy 1-(1,3-Benzodioxole-5-carbonylamino)-3-(2-methoxy-4-nitrophenyl)thiourea?
You can request a quote for 1-(1,3-Benzodioxole-5-carbonylamino)-3-(2-methoxy-4-nitrophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzodioxole-5-carbonylamino)-3-(2-methoxy-4-nitrophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxole-5-carbonylamino)-3-(2-methoxy-4-nitrophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.