N-allyl-N'-(4-methyl-1-piperazinyl)carbamimidothioic acid
TL;DR: N-allyl-N'-(4-methyl-1-piperazinyl)carbamimidothioic acid (CAS 326015-87-6) is a chemical compound with molecular formula C9H18N4S and molecular weight 214.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylpiperazin-1-yl)-3-prop-2-enylthiourea
Also Known As: 1-(4-methylpiperazin-1-yl)-3-prop-2-enylthiourea, AF-399/14863028, N-allyl-N'-(4-methyl-1-piperazinyl)carbamimidothioic acid, 1-(4-methylpiperazin-1-yl)-3-prop-2-en-1-ylthiourea, [(4-methylpiperazinyl)amino](prop-2-enylamino)methane-1-thione
| Molecular Formula | C9H18N4S |
|---|---|
| Molecular Weight | 214.13 g/mol |
| LogP | -0.2011 |
| Topological Polar Surface Area | 30.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.12521 |
| Heavy Atoms | 14 |
| Complexity | 198.98863 |
Chemical Identifiers
| CAS Number | 326015-87-6 |
|---|---|
| SMILES | CN1CCN(CC1)NC(=S)NCC=C |
Product Overview
N-allyl-N'-(4-methyl-1-piperazinyl)carbamimidothioic acid (CAS 326015-87-6), with molecular formula C9H18N4S and molecular weight 214.13 g/mol. IUPAC: 1-(4-methylpiperazin-1-yl)-3-prop-2-enylthiourea.
Chemical Property Profile of N-allyl-N'-(4-methyl-1-piperazinyl)carbamimidothioic acid
Property Insights of N-allyl-N'-(4-methyl-1-piperazinyl)carbamimidothioic acid
The XLogP value of -0.2011 indicates that N-allyl-N'-(4-methyl-1-piperazinyl)carbamimidothioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.54 Ų, N-allyl-N'-(4-methyl-1-piperazinyl)carbamimidothioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-N'-(4-methyl-1-piperazinyl)carbamimidothioic acid has 2 hydrogen bond donor(s) and 3 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-allyl-N'-(4-methyl-1-piperazinyl)carbamimidothioic acid?
The CAS number of N-allyl-N'-(4-methyl-1-piperazinyl)carbamimidothioic acid is 326015-87-6.
What is the molecular formula of N-allyl-N'-(4-methyl-1-piperazinyl)carbamimidothioic acid?
The molecular formula of N-allyl-N'-(4-methyl-1-piperazinyl)carbamimidothioic acid is C9H18N4S.
What is the molecular weight of N-allyl-N'-(4-methyl-1-piperazinyl)carbamimidothioic acid?
The molecular weight of N-allyl-N'-(4-methyl-1-piperazinyl)carbamimidothioic acid is 214.13 g/mol.
Where can I buy N-allyl-N'-(4-methyl-1-piperazinyl)carbamimidothioic acid?
You can request a quote for N-allyl-N'-(4-methyl-1-piperazinyl)carbamimidothioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-N'-(4-methyl-1-piperazinyl)carbamimidothioic acid?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-N'-(4-methyl-1-piperazinyl)carbamimidothioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.