4-(2-methoxyphenyl)-N-methylpiperazine-1-carbothioamide
TL;DR: 4-(2-methoxyphenyl)-N-methylpiperazine-1-carbothioamide (CAS 260554-87-8) is a chemical compound with molecular formula C13H19N3OS and molecular weight 265.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methoxyphenyl)-N-methylpiperazine-1-carbothioamide
Also Known As: Maybridge4_003996, IDI1_032818, 4-(2-methoxyphenyl)-N-methylpiperazine-1-carbothioamide, BRD-K19432834-001-01-9, 4-(2-methoxyphenyl)-N-methyl-1-piperazinecarbothioamide
| Molecular Formula | C13H19N3OS |
|---|---|
| Molecular Weight | 265.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.12488 |
| Heavy Atoms | 18 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 260554-87-8 |
|---|---|
| SMILES | CNC(=S)N1CCN(CC1)C2=CC=CC=C2OC |
| InChIKey | AHFWKDHXCSQBLE-UHFFFAOYSA-N |
Product Overview
4-(2-methoxyphenyl)-N-methylpiperazine-1-carbothioamide (CAS 260554-87-8), with molecular formula C13H19N3OS and molecular weight 265.12 g/mol. IUPAC: 4-(2-methoxyphenyl)-N-methylpiperazine-1-carbothioamide.
Chemical Property Profile of 4-(2-methoxyphenyl)-N-methylpiperazine-1-carbothioamide
Property Insights of 4-(2-methoxyphenyl)-N-methylpiperazine-1-carbothioamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-methoxyphenyl)-N-methylpiperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 59.8 Ų, 4-(2-methoxyphenyl)-N-methylpiperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-methoxyphenyl)-N-methylpiperazine-1-carbothioamide has 1 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 4-(2-methoxyphenyl)-N-methylpiperazine-1-carbothioamide?
The CAS number of 4-(2-methoxyphenyl)-N-methylpiperazine-1-carbothioamide is 260554-87-8.
What is the molecular formula of 4-(2-methoxyphenyl)-N-methylpiperazine-1-carbothioamide?
The molecular formula of 4-(2-methoxyphenyl)-N-methylpiperazine-1-carbothioamide is C13H19N3OS.
What is the molecular weight of 4-(2-methoxyphenyl)-N-methylpiperazine-1-carbothioamide?
The molecular weight of 4-(2-methoxyphenyl)-N-methylpiperazine-1-carbothioamide is 265.12 g/mol.
Where can I buy 4-(2-methoxyphenyl)-N-methylpiperazine-1-carbothioamide?
You can request a quote for 4-(2-methoxyphenyl)-N-methylpiperazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-methoxyphenyl)-N-methylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-methoxyphenyl)-N-methylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.