3-(4-(4-Hydroxy-3-methoxyphenylcarbonothioyl)piperazin-1-yl)propanenitrile
TL;DR: 3-(4-(4-Hydroxy-3-methoxyphenylcarbonothioyl)piperazin-1-yl)propanenitrile (CAS 843631-36-7) is a chemical compound with molecular formula C15H19N3O2S and molecular weight 305.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(4-hydroxy-3-methoxybenzenecarbothioyl)piperazin-1-yl]propanenitrile
Also Known As: 3-(4-(4-hydroxy-3-methoxyphenylcarbonothioyl)piperazin-1-yl)propanenitrile, 3-[4-[(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-sulfanyl-methyl]piperazin-1-yl]propanenitrile, 3-[4-[(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]piperazin-1-yl]propanenitrile, 3-[4-[(Z)-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]piperazin-1-yl]propanenitrile
| Molecular Formula | C15H19N3O2S |
|---|---|
| Molecular Weight | 305.12 g/mol |
| LogP | 1.60758 |
| Topological Polar Surface Area | 59.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.1198 |
| Heavy Atoms | 21 |
| Complexity | 548.33997 |
Chemical Identifiers
| CAS Number | 843631-36-7 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C(=S)N2CCN(CC2)CCC#N)O |
Product Overview
3-(4-(4-Hydroxy-3-methoxyphenylcarbonothioyl)piperazin-1-yl)propanenitrile (CAS 843631-36-7), with molecular formula C15H19N3O2S and molecular weight 305.12 g/mol. IUPAC: 3-[4-(4-hydroxy-3-methoxybenzenecarbothioyl)piperazin-1-yl]propanenitrile.
Chemical Property Profile of 3-(4-(4-Hydroxy-3-methoxyphenylcarbonothioyl)piperazin-1-yl)propanenitrile
Property Insights of 3-(4-(4-Hydroxy-3-methoxyphenylcarbonothioyl)piperazin-1-yl)propanenitrile
The XLogP value of 1.60758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-(4-Hydroxy-3-methoxyphenylcarbonothioyl)piperazin-1-yl)propanenitrile. With a topological polar surface area (TPSA) of 59.73 Ų, 3-(4-(4-Hydroxy-3-methoxyphenylcarbonothioyl)piperazin-1-yl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-(4-Hydroxy-3-methoxyphenylcarbonothioyl)piperazin-1-yl)propanenitrile 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 3-(4-(4-Hydroxy-3-methoxyphenylcarbonothioyl)piperazin-1-yl)propanenitrile?
The CAS number of 3-(4-(4-Hydroxy-3-methoxyphenylcarbonothioyl)piperazin-1-yl)propanenitrile is 843631-36-7.
What is the molecular formula of 3-(4-(4-Hydroxy-3-methoxyphenylcarbonothioyl)piperazin-1-yl)propanenitrile?
The molecular formula of 3-(4-(4-Hydroxy-3-methoxyphenylcarbonothioyl)piperazin-1-yl)propanenitrile is C15H19N3O2S.
What is the molecular weight of 3-(4-(4-Hydroxy-3-methoxyphenylcarbonothioyl)piperazin-1-yl)propanenitrile?
The molecular weight of 3-(4-(4-Hydroxy-3-methoxyphenylcarbonothioyl)piperazin-1-yl)propanenitrile is 305.12 g/mol.
Where can I buy 3-(4-(4-Hydroxy-3-methoxyphenylcarbonothioyl)piperazin-1-yl)propanenitrile?
You can request a quote for 3-(4-(4-Hydroxy-3-methoxyphenylcarbonothioyl)piperazin-1-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-(4-Hydroxy-3-methoxyphenylcarbonothioyl)piperazin-1-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(4-Hydroxy-3-methoxyphenylcarbonothioyl)piperazin-1-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.