1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)thiourea
TL;DR: 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)thiourea (CAS 406925-57-3) is a chemical compound with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)thiourea
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)thiourea, N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-methoxyphenyl)thiourea, 1-(benzo[d][1,3]dioxol-5-ylmethyl)-3-(2-methoxyphenyl)thiourea, [(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)amino][(2-methoxyphenyl)amino]methane -1-thione
| Molecular Formula | C16H16N2O3S |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 2.9105 |
| Topological Polar Surface Area | 51.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.08817 |
| Heavy Atoms | 22 |
| Complexity | 690.8412 |
Chemical Identifiers
| CAS Number | 406925-57-3 |
|---|---|
| SMILES | COC1=CC=CC=C1NC(=S)NCC2=CC3=C(C=C2)OCO3 |
Product Overview
1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)thiourea (CAS 406925-57-3), with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)thiourea.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)thiourea
Property Insights of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)thiourea
The XLogP value of 2.9105 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)thiourea. With a topological polar surface area (TPSA) of 51.75 Ų, 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)thiourea has 2 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 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)thiourea?
The CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)thiourea is 406925-57-3.
What is the molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)thiourea?
The molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)thiourea is C16H16N2O3S.
What is the molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)thiourea?
The molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)thiourea is 316.09 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)thiourea?
You can request a quote for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)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-ylmethyl)-3-(2-methoxyphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.