1-(1,3-Benzodioxol-5-yl)-3-(2-methylsulfanylphenyl)urea
TL;DR: 1-(1,3-Benzodioxol-5-yl)-3-(2-methylsulfanylphenyl)urea (CAS 894261-32-6) is a chemical compound with molecular formula C15H14N2O3S and molecular weight 302.07 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-(2-methylsulfanylphenyl)urea
Also Known As: 1-(1,3-benzodioxol-5-yl)-3-(2-methylsulfanylphenyl)urea, 1-(1,3-benzodioxol-5-yl)-3-[2-(methylsulfanyl)phenyl]urea, (2H-benzo[3,4-d]1,3-dioxolan-5-ylamino)-N-(2-methylthiophenyl)carboxamide, N-(1,3-BENZODIOXOL-5-YL)-N'-[2-(METHYLSULFANYL)PHENYL]UREA
| Molecular Formula | C15H14N2O3S |
|---|---|
| Molecular Weight | 302.07 g/mol |
| LogP | 3.7812 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.0725 |
| Heavy Atoms | 21 |
| Complexity | 675.7183 |
Chemical Identifiers
| CAS Number | 894261-32-6 |
|---|---|
| SMILES | CSC1=CC=CC=C1NC(=O)NC2=CC3=C(C=C2)OCO3 |
Product Overview
1-(1,3-Benzodioxol-5-yl)-3-(2-methylsulfanylphenyl)urea (CAS 894261-32-6), with molecular formula C15H14N2O3S and molecular weight 302.07 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-3-(2-methylsulfanylphenyl)urea.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)-3-(2-methylsulfanylphenyl)urea
Property Insights of 1-(1,3-Benzodioxol-5-yl)-3-(2-methylsulfanylphenyl)urea
The XLogP value of 3.7812 indicates that 1-(1,3-Benzodioxol-5-yl)-3-(2-methylsulfanylphenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, 1-(1,3-Benzodioxol-5-yl)-3-(2-methylsulfanylphenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)-3-(2-methylsulfanylphenyl)urea 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-yl)-3-(2-methylsulfanylphenyl)urea?
The CAS number of 1-(1,3-Benzodioxol-5-yl)-3-(2-methylsulfanylphenyl)urea is 894261-32-6.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-(2-methylsulfanylphenyl)urea?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-(2-methylsulfanylphenyl)urea is C15H14N2O3S.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-(2-methylsulfanylphenyl)urea?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-(2-methylsulfanylphenyl)urea is 302.07 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)-3-(2-methylsulfanylphenyl)urea?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)-3-(2-methylsulfanylphenyl)urea 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-(2-methylsulfanylphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)-3-(2-methylsulfanylphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.