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N-[(4-chlorophenyl)methyl]-4-propylpiperazine-1-carbothioamide
TL;DR: N-[(4-chlorophenyl)methyl]-4-propylpiperazine-1-carbothioamide (CAS 701937-97-5) is a chemical compound with molecular formula C15H22ClN3S and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-4-propylpiperazine-1-carbothioamide
Also Known As: N-(4-chlorobenzyl)-4-propyl-1-piperazinecarbothioamide, N-(4-chlorobenzyl)-4-propylpiperazine-1-carbothioamide, N-[(4-chlorophenyl)methyl]-4-propylpiperazine-1-carbothioamide, N-[(4-chlorophenyl)methyl]-4-propyl-piperazine-1-carbothioamide, {[(4-chlorophenyl)methyl]amino}(4-propylpiperazinyl)methane-1-thione
| Molecular Formula | C15H22ClN3S |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 2.7421 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.12228 |
| Heavy Atoms | 20 |
| Complexity | 427.2497 |
Chemical Identifiers
| CAS Number | 701937-97-5 |
|---|---|
| SMILES | CCCN1CCN(CC1)C(=S)NCC2=CC=C(C=C2)Cl |
Product Overview
N-[(4-chlorophenyl)methyl]-4-propylpiperazine-1-carbothioamide (CAS 701937-97-5), with molecular formula C15H22ClN3S and molecular weight 311.12 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-4-propylpiperazine-1-carbothioamide.
Chemical Property Profile of N-[(4-chlorophenyl)methyl]-4-propylpiperazine-1-carbothioamide
Property Insights of N-[(4-chlorophenyl)methyl]-4-propylpiperazine-1-carbothioamide
The XLogP value of 2.7421 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-chlorophenyl)methyl]-4-propylpiperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 18.51 Ų, N-[(4-chlorophenyl)methyl]-4-propylpiperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(4-chlorophenyl)methyl]-4-propylpiperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 2 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-[(4-chlorophenyl)methyl]-4-propylpiperazine-1-carbothioamide?
The CAS number of N-[(4-chlorophenyl)methyl]-4-propylpiperazine-1-carbothioamide is 701937-97-5.
What is the molecular formula of N-[(4-chlorophenyl)methyl]-4-propylpiperazine-1-carbothioamide?
The molecular formula of N-[(4-chlorophenyl)methyl]-4-propylpiperazine-1-carbothioamide is C15H22ClN3S.
What is the molecular weight of N-[(4-chlorophenyl)methyl]-4-propylpiperazine-1-carbothioamide?
The molecular weight of N-[(4-chlorophenyl)methyl]-4-propylpiperazine-1-carbothioamide is 311.12 g/mol.
Where can I buy N-[(4-chlorophenyl)methyl]-4-propylpiperazine-1-carbothioamide?
You can request a quote for N-[(4-chlorophenyl)methyl]-4-propylpiperazine-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-[(4-chlorophenyl)methyl]-4-propylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-chlorophenyl)methyl]-4-propylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.