N1,N4-Dibutyl-1,4-piperazinedicarbothioamide
TL;DR: N1,N4-Dibutyl-1,4-piperazinedicarbothioamide (CAS 80490-80-8) is a chemical compound with molecular formula C14H28N4S2 and molecular weight 316.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,4-N-dibutylpiperazine-1,4-dicarbothioamide
Also Known As: EINECS 279-486-3, N,N'-Dibutylpiperazine-1,4-dithiocarboxamide, N1,N4-Dibutyl-1,4-piperazinedicarbothioamide, 1-N,4-N-dibutylpiperazine-1,4-dicarbothioamide, N,N'-Dibutyl-1,4-piperazinedicarbothioamide
| Molecular Formula | C14H28N4S2 |
|---|---|
| Molecular Weight | 316.18 g/mol |
| LogP | 1.9532 |
| Topological Polar Surface Area | 30.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.17554 |
| Heavy Atoms | 20 |
| Complexity | 271.54904 |
Chemical Identifiers
| CAS Number | 80490-80-8 |
|---|---|
| SMILES | CCCCNC(=S)N1CCN(CC1)C(=S)NCCCC |
Product Overview
N1,N4-Dibutyl-1,4-piperazinedicarbothioamide (CAS 80490-80-8), with molecular formula C14H28N4S2 and molecular weight 316.18 g/mol. IUPAC: 1-N,4-N-dibutylpiperazine-1,4-dicarbothioamide.
Chemical Property Profile of N1,N4-Dibutyl-1,4-piperazinedicarbothioamide
Property Insights of N1,N4-Dibutyl-1,4-piperazinedicarbothioamide
The XLogP value of 1.9532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N1,N4-Dibutyl-1,4-piperazinedicarbothioamide. With a topological polar surface area (TPSA) of 30.54 Ų, N1,N4-Dibutyl-1,4-piperazinedicarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N1,N4-Dibutyl-1,4-piperazinedicarbothioamide has 2 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 N1,N4-Dibutyl-1,4-piperazinedicarbothioamide?
The CAS number of N1,N4-Dibutyl-1,4-piperazinedicarbothioamide is 80490-80-8.
What is the molecular formula of N1,N4-Dibutyl-1,4-piperazinedicarbothioamide?
The molecular formula of N1,N4-Dibutyl-1,4-piperazinedicarbothioamide is C14H28N4S2.
What is the molecular weight of N1,N4-Dibutyl-1,4-piperazinedicarbothioamide?
The molecular weight of N1,N4-Dibutyl-1,4-piperazinedicarbothioamide is 316.18 g/mol.
Where can I buy N1,N4-Dibutyl-1,4-piperazinedicarbothioamide?
You can request a quote for N1,N4-Dibutyl-1,4-piperazinedicarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1,N4-Dibutyl-1,4-piperazinedicarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N1,N4-Dibutyl-1,4-piperazinedicarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.