N-(5-chloro-2-methoxyphenyl)-4-methylsulfonylpiperazine-1-carbothioamide
TL;DR: N-(5-chloro-2-methoxyphenyl)-4-methylsulfonylpiperazine-1-carbothioamide (CAS 701276-01-9) is a chemical compound with molecular formula C13H18ClN3O3S2 and molecular weight 363.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methoxyphenyl)-4-methylsulfonylpiperazine-1-carbothioamide
Also Known As: N-(5-chloro-2-methoxyphenyl)-4-methylsulfonylpiperazine-1-carbothioamide, N-(5-chloro-2-methoxyphenyl)-4-(methylsulfonyl)-1-piperazinecarbothioamide, N-(5-chloro-2-methoxyphenyl)-4-(methylsulfonyl)piperazine-1-carbothioamide, 4-{[(5-chloro-2-methoxyphenyl)amino]thioxomethyl}-1-(methylsulfonyl)piperazine
| Molecular Formula | C13H18ClN3O3S2 |
|---|---|
| Molecular Weight | 363.05 g/mol |
| LogP | 1.6226 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.04782 |
| Heavy Atoms | 22 |
| Complexity | 658.4942 |
Chemical Identifiers
| CAS Number | 701276-01-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)S(=O)(=O)C |
Product Overview
N-(5-chloro-2-methoxyphenyl)-4-methylsulfonylpiperazine-1-carbothioamide (CAS 701276-01-9), with molecular formula C13H18ClN3O3S2 and molecular weight 363.05 g/mol. IUPAC: N-(5-chloro-2-methoxyphenyl)-4-methylsulfonylpiperazine-1-carbothioamide.
Chemical Property Profile of N-(5-chloro-2-methoxyphenyl)-4-methylsulfonylpiperazine-1-carbothioamide
Property Insights of N-(5-chloro-2-methoxyphenyl)-4-methylsulfonylpiperazine-1-carbothioamide
The XLogP value of 1.6226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-chloro-2-methoxyphenyl)-4-methylsulfonylpiperazine-1-carbothioamide. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-chloro-2-methoxyphenyl)-4-methylsulfonylpiperazine-1-carbothioamide. Following Lipinski's Rule of Five, N-(5-chloro-2-methoxyphenyl)-4-methylsulfonylpiperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 4 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-(5-chloro-2-methoxyphenyl)-4-methylsulfonylpiperazine-1-carbothioamide?
The CAS number of N-(5-chloro-2-methoxyphenyl)-4-methylsulfonylpiperazine-1-carbothioamide is 701276-01-9.
What is the molecular formula of N-(5-chloro-2-methoxyphenyl)-4-methylsulfonylpiperazine-1-carbothioamide?
The molecular formula of N-(5-chloro-2-methoxyphenyl)-4-methylsulfonylpiperazine-1-carbothioamide is C13H18ClN3O3S2.
What is the molecular weight of N-(5-chloro-2-methoxyphenyl)-4-methylsulfonylpiperazine-1-carbothioamide?
The molecular weight of N-(5-chloro-2-methoxyphenyl)-4-methylsulfonylpiperazine-1-carbothioamide is 363.05 g/mol.
Where can I buy N-(5-chloro-2-methoxyphenyl)-4-methylsulfonylpiperazine-1-carbothioamide?
You can request a quote for N-(5-chloro-2-methoxyphenyl)-4-methylsulfonylpiperazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-chloro-2-methoxyphenyl)-4-methylsulfonylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-chloro-2-methoxyphenyl)-4-methylsulfonylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.