4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1-piperazinecarbothioamide
TL;DR: 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1-piperazinecarbothioamide (CAS 838890-05-4) is a chemical compound with molecular formula C18H25N3O2S and molecular weight 347.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)-N-cyclohexylpiperazine-1-carbothioamide
Also Known As: 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1-piperazinecarbothioamide, 4-(1,3-benzodioxol-5-yl)-N-cyclohexylpiperazine-1-carbothioamide, 4-(Benzo[d][1,3]dioxol-5-yl)-N-cyclohexylpiperazine-1-carbothioamide
| Molecular Formula | C18H25N3O2S |
|---|---|
| Molecular Weight | 347.17 g/mol |
| LogP | 2.7445 |
| Topological Polar Surface Area | 36.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.16675 |
| Heavy Atoms | 24 |
| Complexity | 595.9267 |
Chemical Identifiers
| CAS Number | 838890-05-4 |
|---|---|
| SMILES | C1CCC(CC1)NC(=S)N2CCN(CC2)C3=CC4=C(C=C3)OCO4 |
Product Overview
4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1-piperazinecarbothioamide (CAS 838890-05-4), with molecular formula C18H25N3O2S and molecular weight 347.17 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-N-cyclohexylpiperazine-1-carbothioamide.
Chemical Property Profile of 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1-piperazinecarbothioamide
Property Insights of 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1-piperazinecarbothioamide
The XLogP value of 2.7445 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1-piperazinecarbothioamide. With a topological polar surface area (TPSA) of 36.97 Ų, 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1-piperazinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1-piperazinecarbothioamide has 1 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 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1-piperazinecarbothioamide?
The CAS number of 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1-piperazinecarbothioamide is 838890-05-4.
What is the molecular formula of 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1-piperazinecarbothioamide?
The molecular formula of 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1-piperazinecarbothioamide is C18H25N3O2S.
What is the molecular weight of 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1-piperazinecarbothioamide?
The molecular weight of 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1-piperazinecarbothioamide is 347.17 g/mol.
Where can I buy 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1-piperazinecarbothioamide?
You can request a quote for 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1-piperazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1-piperazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1-piperazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.