1-(1,3-Benzodioxol-5-ylmethyl)-3-phenylthiourea
TL;DR: 1-(1,3-Benzodioxol-5-ylmethyl)-3-phenylthiourea (CAS 65609-34-9) is a chemical compound with molecular formula C15H14N2O2S and molecular weight 286.08 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-phenylthiourea
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-3-phenylthiourea, BAS 04887243, BIM-0042457.P001, 1-Benzo[1,3]dioxol-5-ylmethyl-3-phenyl-thiourea, 3-(2H-1,3-BENZODIOXOL-5-YLMETHYL)-1-PHENYLTHIOUREA
| Molecular Formula | C15H14N2O2S |
|---|---|
| Molecular Weight | 286.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.0776 |
| Heavy Atoms | 20 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 65609-34-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC=CC=C3 |
| InChIKey | JLMWKSVDQADZCD-UHFFFAOYSA-N |
Product Overview
1-(1,3-Benzodioxol-5-ylmethyl)-3-phenylthiourea (CAS 65609-34-9), with molecular formula C15H14N2O2S and molecular weight 286.08 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-3-phenylthiourea.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-ylmethyl)-3-phenylthiourea
Property Insights of 1-(1,3-Benzodioxol-5-ylmethyl)-3-phenylthiourea
The XLogP value of 3.0 indicates that 1-(1,3-Benzodioxol-5-ylmethyl)-3-phenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Benzodioxol-5-ylmethyl)-3-phenylthiourea. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-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-(1,3-Benzodioxol-5-ylmethyl)-3-phenylthiourea?
The CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-3-phenylthiourea is 65609-34-9.
What is the molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-3-phenylthiourea?
The molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-3-phenylthiourea is C15H14N2O2S.
What is the molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-3-phenylthiourea?
The molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-3-phenylthiourea is 286.08 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-ylmethyl)-3-phenylthiourea?
You can request a quote for 1-(1,3-Benzodioxol-5-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-(1,3-Benzodioxol-5-ylmethyl)-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-ylmethyl)-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.