1-(1,3-Benzodioxol-5-ylmethyl)-3-cyclohexylthiourea
TL;DR: 1-(1,3-Benzodioxol-5-ylmethyl)-3-cyclohexylthiourea (CAS 405068-25-9) is a chemical compound with molecular formula C15H20N2O2S and molecular weight 292.12 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-cyclohexylthiourea
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexylthiourea, N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclohexylthiourea, 3-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-1-CYCLOHEXYLTHIOUREA
| Molecular Formula | C15H20N2O2S |
|---|---|
| Molecular Weight | 292.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.12454 |
| Heavy Atoms | 20 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 405068-25-9 |
|---|---|
| SMILES | C1CCC(CC1)NC(=S)NCC2=CC3=C(C=C2)OCO3 |
| InChIKey | PBULOHFPQRXAHO-UHFFFAOYSA-N |
Product Overview
1-(1,3-Benzodioxol-5-ylmethyl)-3-cyclohexylthiourea (CAS 405068-25-9), with molecular formula C15H20N2O2S and molecular weight 292.12 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexylthiourea.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-ylmethyl)-3-cyclohexylthiourea
Property Insights of 1-(1,3-Benzodioxol-5-ylmethyl)-3-cyclohexylthiourea
The XLogP value of 3.3 indicates that 1-(1,3-Benzodioxol-5-ylmethyl)-3-cyclohexylthiourea 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-cyclohexylthiourea. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-ylmethyl)-3-cyclohexylthiourea 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-cyclohexylthiourea?
The CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-3-cyclohexylthiourea is 405068-25-9.
What is the molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-3-cyclohexylthiourea?
The molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-3-cyclohexylthiourea is C15H20N2O2S.
What is the molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-3-cyclohexylthiourea?
The molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-3-cyclohexylthiourea is 292.12 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-ylmethyl)-3-cyclohexylthiourea?
You can request a quote for 1-(1,3-Benzodioxol-5-ylmethyl)-3-cyclohexylthiourea 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-cyclohexylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-ylmethyl)-3-cyclohexylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.