1-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylthiourea
TL;DR: 1-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylthiourea (CAS 356574-54-4) is a chemical compound with molecular formula C16H16N2O2S and molecular weight 300.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylthiourea
Also Known As: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylthiourea, 1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-3-phenylthiourea, N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-N'-phenylthiourea, 1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-3-phenylthiourea, [(2H,3H-benzo[e]1,4-dioxin-2-ylmethyl)amino](phenylamino)methane-1-thione
| Molecular Formula | C16H16N2O2S |
|---|---|
| Molecular Weight | 300.09 g/mol |
| LogP | 2.813 |
| Topological Polar Surface Area | 42.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.09326 |
| Heavy Atoms | 21 |
| Complexity | 618.68384 |
Chemical Identifiers
| CAS Number | 356574-54-4 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2O1)CNC(=S)NC3=CC=CC=C3 |
Product Overview
1-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylthiourea (CAS 356574-54-4), with molecular formula C16H16N2O2S and molecular weight 300.09 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylthiourea.
Chemical Property Profile of 1-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylthiourea
Property Insights of 1-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylthiourea
The XLogP value of 2.813 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylthiourea. With a topological polar surface area (TPSA) of 42.52 Ų, 1-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylthiourea has 2 hydrogen bond donor(s) and 3 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-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylthiourea?
The CAS number of 1-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylthiourea is 356574-54-4.
What is the molecular formula of 1-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylthiourea?
The molecular formula of 1-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylthiourea is C16H16N2O2S.
What is the molecular weight of 1-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylthiourea?
The molecular weight of 1-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylthiourea is 300.09 g/mol.
Where can I buy 1-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylthiourea?
You can request a quote for 1-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.