1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-chloro-2-methylphenyl)thiourea
TL;DR: 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-chloro-2-methylphenyl)thiourea (CAS 433259-23-5) is a chemical compound with molecular formula C16H15ClN2O2S and molecular weight 334.05 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-(4-chloro-2-methylphenyl)thiourea
Also Known As: AB00041073-01, 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chloro-2-methylphenyl)thiourea, N-(1,3-BENZODIOXOL-5-YLMETHYL)-N'-(4-CHLORO-2-METHYLPHENYL)THIOUREA, [(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)amino][(4-chloro-2-methylphenyl)amino ]methane-1-thione
| Molecular Formula | C16H15ClN2O2S |
|---|---|
| Molecular Weight | 334.05 g/mol |
| LogP | 3.86372 |
| Topological Polar Surface Area | 42.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.0543 |
| Heavy Atoms | 22 |
| Complexity | 721.2872 |
Chemical Identifiers
| CAS Number | 433259-23-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)NC(=S)NCC2=CC3=C(C=C2)OCO3 |
Product Overview
1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-chloro-2-methylphenyl)thiourea (CAS 433259-23-5), with molecular formula C16H15ClN2O2S and molecular weight 334.05 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chloro-2-methylphenyl)thiourea.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-chloro-2-methylphenyl)thiourea
Property Insights of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-chloro-2-methylphenyl)thiourea
The XLogP value of 3.86372 indicates that 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-chloro-2-methylphenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.52 Ų, 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-chloro-2-methylphenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-chloro-2-methylphenyl)thiourea 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-(1,3-Benzodioxol-5-ylmethyl)-3-(4-chloro-2-methylphenyl)thiourea?
The CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-chloro-2-methylphenyl)thiourea is 433259-23-5.
What is the molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-chloro-2-methylphenyl)thiourea?
The molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-chloro-2-methylphenyl)thiourea is C16H15ClN2O2S.
What is the molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-chloro-2-methylphenyl)thiourea?
The molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-chloro-2-methylphenyl)thiourea is 334.05 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-chloro-2-methylphenyl)thiourea?
You can request a quote for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-chloro-2-methylphenyl)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-(4-chloro-2-methylphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-chloro-2-methylphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.