RefChem:1056476
TL;DR: RefChem:1056476 (CAS 29200-59-7) is a chemical compound with molecular formula C19H40N4S2 and molecular weight 388.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-(2-methylpropyl)piperazine;2-methyl-4-(2-methylpropyl)piperazine-1-carbodithioic acid
Also Known As: 1-Piperazinecarbodithioic acid, 4-isobutyl-2-methyl-, compd. with 1-isobutyl-3-methylpiperazine, 2-Methyl-4-(2-methylpropyl)piperazine-1-carbodithioic acid--3-methyl-1-(2-methylpropyl)piperazine (1/1), 3-methyl-1-(2-methylpropyl)piperazine; 2-methyl-4-(2-methylpropyl)piperazine-1-carbodithioic acid, RefChem:1056476
| Molecular Formula | C19H40N4S2 |
|---|---|
| Molecular Weight | 388.27 g/mol |
| LogP | 2.7993 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.26944 |
| Heavy Atoms | 25 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 29200-59-7 |
|---|---|
| SMILES | CC1CN(CCN1)CC(C)C.CC1CN(CCN1C(=S)S)CC(C)C |
| InChIKey | ZKNJFJFPHBUJPJ-UHFFFAOYSA-N |
Product Overview
RefChem:1056476 (CAS 29200-59-7), with molecular formula C19H40N4S2 and molecular weight 388.27 g/mol. IUPAC: 3-methyl-1-(2-methylpropyl)piperazine;2-methyl-4-(2-methylpropyl)piperazine-1-carbodithioic acid.
Chemical Property Profile of RefChem:1056476
Property Insights of RefChem:1056476
The XLogP value of 2.7993 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056476. With a topological polar surface area (TPSA) of 54.8 Ų, RefChem:1056476 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1056476 has 2 hydrogen bond donor(s) and 5 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 RefChem:1056476?
The CAS number of RefChem:1056476 is 29200-59-7.
What is the molecular formula of RefChem:1056476?
The molecular formula of RefChem:1056476 is C19H40N4S2.
What is the molecular weight of RefChem:1056476?
The molecular weight of RefChem:1056476 is 388.27 g/mol.
Where can I buy RefChem:1056476?
You can request a quote for RefChem:1056476 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056476?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056476 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.