N-(1,3-benzodioxol-5-yl)-4-(2-furanylmethyl)-1-piperazinecarbothioamide
TL;DR: N-(1,3-benzodioxol-5-yl)-4-(2-furanylmethyl)-1-piperazinecarbothioamide (CAS 701933-97-3) is a chemical compound with molecular formula C17H19N3O3S and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-4-(furan-2-ylmethyl)piperazine-1-carbothioamide
Also Known As: N-(1,3-benzodioxol-5-yl)-4-(furan-2-ylmethyl)piperazine-1-carbothioamide, N-(1,3-benzodioxol-5-yl)-4-(2-furanylmethyl)-1-piperazinecarbothioamide, N-1,3-benzodioxol-5-yl-4-(2-furylmethyl)-1-piperazinecarbothioamide, N-benzo[1,3]dioxol-5-yl-4-(2-furylmethyl)piperazine-1-carbothioamide, (2H-benzo[3,4-d]1,3-dioxolan-5-ylamino)[4-(2-furylmethyl)piperazinyl]methane-1 -thione
| Molecular Formula | C17H19N3O3S |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 2.5229 |
| Topological Polar Surface Area | 50.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.11472 |
| Heavy Atoms | 24 |
| Complexity | 711.8758 |
Chemical Identifiers
| CAS Number | 701933-97-3 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CO2)C(=S)NC3=CC4=C(C=C3)OCO4 |
Product Overview
N-(1,3-benzodioxol-5-yl)-4-(2-furanylmethyl)-1-piperazinecarbothioamide (CAS 701933-97-3), with molecular formula C17H19N3O3S and molecular weight 345.11 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-4-(furan-2-ylmethyl)piperazine-1-carbothioamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-4-(2-furanylmethyl)-1-piperazinecarbothioamide
Property Insights of N-(1,3-benzodioxol-5-yl)-4-(2-furanylmethyl)-1-piperazinecarbothioamide
The XLogP value of 2.5229 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-yl)-4-(2-furanylmethyl)-1-piperazinecarbothioamide. With a topological polar surface area (TPSA) of 50.11 Ų, N-(1,3-benzodioxol-5-yl)-4-(2-furanylmethyl)-1-piperazinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-4-(2-furanylmethyl)-1-piperazinecarbothioamide has 1 hydrogen bond donor(s) and 5 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 N-(1,3-benzodioxol-5-yl)-4-(2-furanylmethyl)-1-piperazinecarbothioamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-4-(2-furanylmethyl)-1-piperazinecarbothioamide is 701933-97-3.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-4-(2-furanylmethyl)-1-piperazinecarbothioamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-4-(2-furanylmethyl)-1-piperazinecarbothioamide is C17H19N3O3S.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-4-(2-furanylmethyl)-1-piperazinecarbothioamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-4-(2-furanylmethyl)-1-piperazinecarbothioamide is 345.11 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-4-(2-furanylmethyl)-1-piperazinecarbothioamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-4-(2-furanylmethyl)-1-piperazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-yl)-4-(2-furanylmethyl)-1-piperazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-4-(2-furanylmethyl)-1-piperazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.