1-(1,3-Benzodioxol-5-yl)-3-(2-chlorophenyl)thiourea
TL;DR: 1-(1,3-Benzodioxol-5-yl)-3-(2-chlorophenyl)thiourea (CAS 377766-52-4) is a chemical compound with molecular formula C14H11ClN2O2S and molecular weight 306.02 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-chlorophenyl)thiourea
Also Known As: 1-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)thiourea, N-2H-1,3-Benzodioxol-5-yl-N'-(2-chlorophenyl)thiourea
| Molecular Formula | C14H11ClN2O2S |
|---|---|
| Molecular Weight | 306.02 g/mol |
| LogP | 3.8776 |
| Topological Polar Surface Area | 42.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.02298 |
| Heavy Atoms | 20 |
| Complexity | 663.3722 |
Chemical Identifiers
| CAS Number | 377766-52-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC=CC=C3Cl |
Product Overview
1-(1,3-Benzodioxol-5-yl)-3-(2-chlorophenyl)thiourea (CAS 377766-52-4), with molecular formula C14H11ClN2O2S and molecular weight 306.02 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)thiourea.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)-3-(2-chlorophenyl)thiourea
Property Insights of 1-(1,3-Benzodioxol-5-yl)-3-(2-chlorophenyl)thiourea
The XLogP value of 3.8776 indicates that 1-(1,3-Benzodioxol-5-yl)-3-(2-chlorophenyl)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-yl)-3-(2-chlorophenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)-3-(2-chlorophenyl)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-yl)-3-(2-chlorophenyl)thiourea?
The CAS number of 1-(1,3-Benzodioxol-5-yl)-3-(2-chlorophenyl)thiourea is 377766-52-4.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-(2-chlorophenyl)thiourea?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-(2-chlorophenyl)thiourea is C14H11ClN2O2S.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-(2-chlorophenyl)thiourea?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-(2-chlorophenyl)thiourea is 306.02 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)-3-(2-chlorophenyl)thiourea?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)-3-(2-chlorophenyl)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-(2-chlorophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)-3-(2-chlorophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.