1-(1,3-Benzodioxol-5-yl)-3-(1-propylpiperidin-4-yl)thiourea
TL;DR: 1-(1,3-Benzodioxol-5-yl)-3-(1-propylpiperidin-4-yl)thiourea (CAS 701925-71-5) is a chemical compound with molecular formula C16H23N3O2S and molecular weight 321.15 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-(1-propylpiperidin-4-yl)thiourea
Also Known As: 1-(1,3-benzodioxol-5-yl)-3-(1-propylpiperidin-4-yl)thiourea, 3-benzo[1,3]dioxol-5-yl-1-(1-propyl-4-piperidyl)thiourea, (2H-benzo[3,4-d]1,3-dioxolan-5-ylamino)[(1-propyl(4-piperidyl))amino]methane-1 -thione
| Molecular Formula | C16H23N3O2S |
|---|---|
| Molecular Weight | 321.15 g/mol |
| LogP | 2.5761 |
| Topological Polar Surface Area | 45.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.1511 |
| Heavy Atoms | 22 |
| Complexity | 530.12225 |
Chemical Identifiers
| CAS Number | 701925-71-5 |
|---|---|
| SMILES | CCCN1CCC(CC1)NC(=S)NC2=CC3=C(C=C2)OCO3 |
Product Overview
1-(1,3-Benzodioxol-5-yl)-3-(1-propylpiperidin-4-yl)thiourea (CAS 701925-71-5), with molecular formula C16H23N3O2S and molecular weight 321.15 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-3-(1-propylpiperidin-4-yl)thiourea.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)-3-(1-propylpiperidin-4-yl)thiourea
Property Insights of 1-(1,3-Benzodioxol-5-yl)-3-(1-propylpiperidin-4-yl)thiourea
The XLogP value of 2.5761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-yl)-3-(1-propylpiperidin-4-yl)thiourea. With a topological polar surface area (TPSA) of 45.76 Ų, 1-(1,3-Benzodioxol-5-yl)-3-(1-propylpiperidin-4-yl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)-3-(1-propylpiperidin-4-yl)thiourea 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-(1-propylpiperidin-4-yl)thiourea?
The CAS number of 1-(1,3-Benzodioxol-5-yl)-3-(1-propylpiperidin-4-yl)thiourea is 701925-71-5.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-(1-propylpiperidin-4-yl)thiourea?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-(1-propylpiperidin-4-yl)thiourea is C16H23N3O2S.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-(1-propylpiperidin-4-yl)thiourea?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-(1-propylpiperidin-4-yl)thiourea is 321.15 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)-3-(1-propylpiperidin-4-yl)thiourea?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)-3-(1-propylpiperidin-4-yl)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-(1-propylpiperidin-4-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)-3-(1-propylpiperidin-4-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.