1-(1,3-Benzodioxol-5-yl)-3-(4-methyl-2-oxochromen-7-yl)thiourea
TL;DR: 1-(1,3-Benzodioxol-5-yl)-3-(4-methyl-2-oxochromen-7-yl)thiourea (CAS 708229-70-3) is a chemical compound with molecular formula C18H14N2O4S and molecular weight 354.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-3-(4-methyl-2-oxochromen-7-yl)thiourea
Also Known As: 1-(1,3-benzodioxol-5-yl)-3-(4-methyl-2-oxochromen-7-yl)thiourea, 1-(1,3-benzodioxol-5-yl)-3-(4-methyl-2-oxo-2H-chromen-7-yl)thiourea, 7-{[(2H-benzo[3,4-d]1,3-dioxolan-5-ylamino)thioxomethyl]amino}-4-methylchromen -2-one
| Molecular Formula | C18H14N2O4S |
|---|---|
| Molecular Weight | 354.07 g/mol |
| LogP | 3.63902 |
| Topological Polar Surface Area | 72.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.0674 |
| Heavy Atoms | 25 |
| Complexity | 1044.9158 |
Chemical Identifiers
| CAS Number | 708229-70-3 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=CC4=C(C=C3)OCO4 |
Product Overview
1-(1,3-Benzodioxol-5-yl)-3-(4-methyl-2-oxochromen-7-yl)thiourea (CAS 708229-70-3), with molecular formula C18H14N2O4S and molecular weight 354.07 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-3-(4-methyl-2-oxochromen-7-yl)thiourea.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)-3-(4-methyl-2-oxochromen-7-yl)thiourea
Property Insights of 1-(1,3-Benzodioxol-5-yl)-3-(4-methyl-2-oxochromen-7-yl)thiourea
The XLogP value of 3.63902 indicates that 1-(1,3-Benzodioxol-5-yl)-3-(4-methyl-2-oxochromen-7-yl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Benzodioxol-5-yl)-3-(4-methyl-2-oxochromen-7-yl)thiourea. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)-3-(4-methyl-2-oxochromen-7-yl)thiourea has 2 hydrogen bond donor(s) and 5 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-Benzodioxol-5-yl)-3-(4-methyl-2-oxochromen-7-yl)thiourea?
The CAS number of 1-(1,3-Benzodioxol-5-yl)-3-(4-methyl-2-oxochromen-7-yl)thiourea is 708229-70-3.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-(4-methyl-2-oxochromen-7-yl)thiourea?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-(4-methyl-2-oxochromen-7-yl)thiourea is C18H14N2O4S.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-(4-methyl-2-oxochromen-7-yl)thiourea?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-(4-methyl-2-oxochromen-7-yl)thiourea is 354.07 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)-3-(4-methyl-2-oxochromen-7-yl)thiourea?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)-3-(4-methyl-2-oxochromen-7-yl)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-Benzodioxol-5-yl)-3-(4-methyl-2-oxochromen-7-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)-3-(4-methyl-2-oxochromen-7-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.