1-(3-Methyl-2-butenyl)-4-(2,4,4-trimethylallophanoyl)piperazine hydrochloride
TL;DR: 1-(3-Methyl-2-butenyl)-4-(2,4,4-trimethylallophanoyl)piperazine hydrochloride (CAS 80712-52-3) is a chemical compound with molecular formula C14H27ClN4O2 and molecular weight 318.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(dimethylcarbamoyl)-N-methyl-4-(3-methylbut-2-enyl)piperazine-1-carboxamide;hydrochloride
Also Known As: 1-(3-Methyl-2-butenyl)-4-(2,4,4-trimethylallophanoyl)piperazine hydrochloride, 1-Piperazinecarboxamide, N-((dimethylamino)carbonyl)-N-methyl-4-(3-methyl-2-butenyl)-, monohydrochloride, N-(dimethylcarbamoyl)-N-methyl-4-(3-methylbut-2-enyl)piperazine-1-carboxamide hydrochloride, N-(Dimethylcarbamoyl)-N-methyl-4-(3-methylbut-2-en-1-yl)piperazine-1-carboxamide--hydrogen chloride (1/1), RefChem:233496
| Molecular Formula | C14H27ClN4O2 |
|---|---|
| Molecular Weight | 318.18 g/mol |
| LogP | 1.7254 |
| Topological Polar Surface Area | 47.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.18225 |
| Heavy Atoms | 21 |
| Complexity | 386.43524 |
Chemical Identifiers
| CAS Number | 80712-52-3 |
|---|---|
| SMILES | CC(=CCN1CCN(CC1)C(=O)N(C)C(=O)N(C)C)C.Cl |
Product Overview
1-(3-Methyl-2-butenyl)-4-(2,4,4-trimethylallophanoyl)piperazine hydrochloride (CAS 80712-52-3), with molecular formula C14H27ClN4O2 and molecular weight 318.18 g/mol. IUPAC: N-(dimethylcarbamoyl)-N-methyl-4-(3-methylbut-2-enyl)piperazine-1-carboxamide;hydrochloride.
Chemical Property Profile of 1-(3-Methyl-2-butenyl)-4-(2,4,4-trimethylallophanoyl)piperazine hydrochloride
Property Insights of 1-(3-Methyl-2-butenyl)-4-(2,4,4-trimethylallophanoyl)piperazine hydrochloride
The XLogP value of 1.7254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Methyl-2-butenyl)-4-(2,4,4-trimethylallophanoyl)piperazine hydrochloride. With a topological polar surface area (TPSA) of 47.1 Ų, 1-(3-Methyl-2-butenyl)-4-(2,4,4-trimethylallophanoyl)piperazine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methyl-2-butenyl)-4-(2,4,4-trimethylallophanoyl)piperazine hydrochloride has 0 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 1-(3-Methyl-2-butenyl)-4-(2,4,4-trimethylallophanoyl)piperazine hydrochloride?
The CAS number of 1-(3-Methyl-2-butenyl)-4-(2,4,4-trimethylallophanoyl)piperazine hydrochloride is 80712-52-3.
What is the molecular formula of 1-(3-Methyl-2-butenyl)-4-(2,4,4-trimethylallophanoyl)piperazine hydrochloride?
The molecular formula of 1-(3-Methyl-2-butenyl)-4-(2,4,4-trimethylallophanoyl)piperazine hydrochloride is C14H27ClN4O2.
What is the molecular weight of 1-(3-Methyl-2-butenyl)-4-(2,4,4-trimethylallophanoyl)piperazine hydrochloride?
The molecular weight of 1-(3-Methyl-2-butenyl)-4-(2,4,4-trimethylallophanoyl)piperazine hydrochloride is 318.18 g/mol.
Where can I buy 1-(3-Methyl-2-butenyl)-4-(2,4,4-trimethylallophanoyl)piperazine hydrochloride?
You can request a quote for 1-(3-Methyl-2-butenyl)-4-(2,4,4-trimethylallophanoyl)piperazine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methyl-2-butenyl)-4-(2,4,4-trimethylallophanoyl)piperazine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methyl-2-butenyl)-4-(2,4,4-trimethylallophanoyl)piperazine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.