4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)-1-piperazinecarbothioamide
TL;DR: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)-1-piperazinecarbothioamide (CAS 516457-93-5) is a chemical compound with molecular formula C20H23N3O3S and molecular weight 385.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)piperazine-1-carbothioamide
Also Known As: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)-1-piperazinecarbothioamide, AJ-292/42034578, F1540-0036, 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)piperazine-1-carbothioamide, 4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-methoxyphenyl)piperazine-1-carbothioamide
| Molecular Formula | C20H23N3O3S |
|---|---|
| Molecular Weight | 385.15 g/mol |
| LogP | 2.9385 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.14603 |
| Heavy Atoms | 27 |
| Complexity | 821.86926 |
Chemical Identifiers
| CAS Number | 516457-93-5 |
|---|---|
| SMILES | COC1=CC=CC=C1NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 |
Product Overview
4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)-1-piperazinecarbothioamide (CAS 516457-93-5), with molecular formula C20H23N3O3S and molecular weight 385.15 g/mol. IUPAC: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)-1-piperazinecarbothioamide
Property Insights of 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)-1-piperazinecarbothioamide
The XLogP value of 2.9385 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)-1-piperazinecarbothioamide. With a topological polar surface area (TPSA) of 46.2 Ų, 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)-1-piperazinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)-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 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)-1-piperazinecarbothioamide?
The CAS number of 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)-1-piperazinecarbothioamide is 516457-93-5.
What is the molecular formula of 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)-1-piperazinecarbothioamide?
The molecular formula of 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)-1-piperazinecarbothioamide is C20H23N3O3S.
What is the molecular weight of 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)-1-piperazinecarbothioamide?
The molecular weight of 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)-1-piperazinecarbothioamide is 385.15 g/mol.
Where can I buy 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)-1-piperazinecarbothioamide?
You can request a quote for 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)-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-ylmethyl)-N-(2-methoxyphenyl)-1-piperazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)-1-piperazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.