1-(3,5-Ditert-butylbenzoyl)-4-methylpiperazine
TL;DR: 1-(3,5-Ditert-butylbenzoyl)-4-methylpiperazine (CAS 625823-20-3) is a chemical compound with molecular formula C20H32N2O and molecular weight 316.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-ditert-butylphenyl)-(4-methylpiperazin-1-yl)methanone
Also Known As: TimTec1_007121, 1-(3,5-ditert-butylbenzoyl)-4-methylpiperazine, BAS 04944772, AE-848/09826018, (3,5-ditert-butylphenyl)-(4-methylpiperazin-1-yl)methanone
| Molecular Formula | C20H32N2O |
|---|---|
| Molecular Weight | 316.25 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.25146 |
| Heavy Atoms | 23 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 625823-20-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C)C(C)(C)C |
| InChIKey | XVIZHOKTCZRQSB-UHFFFAOYSA-N |
Product Overview
1-(3,5-Ditert-butylbenzoyl)-4-methylpiperazine (CAS 625823-20-3), with molecular formula C20H32N2O and molecular weight 316.25 g/mol. IUPAC: (3,5-ditert-butylphenyl)-(4-methylpiperazin-1-yl)methanone.
Chemical Property Profile of 1-(3,5-Ditert-butylbenzoyl)-4-methylpiperazine
Property Insights of 1-(3,5-Ditert-butylbenzoyl)-4-methylpiperazine
The XLogP value of 3.7 indicates that 1-(3,5-Ditert-butylbenzoyl)-4-methylpiperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, 1-(3,5-Ditert-butylbenzoyl)-4-methylpiperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,5-Ditert-butylbenzoyl)-4-methylpiperazine has 0 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 1-(3,5-Ditert-butylbenzoyl)-4-methylpiperazine?
The CAS number of 1-(3,5-Ditert-butylbenzoyl)-4-methylpiperazine is 625823-20-3.
What is the molecular formula of 1-(3,5-Ditert-butylbenzoyl)-4-methylpiperazine?
The molecular formula of 1-(3,5-Ditert-butylbenzoyl)-4-methylpiperazine is C20H32N2O.
What is the molecular weight of 1-(3,5-Ditert-butylbenzoyl)-4-methylpiperazine?
The molecular weight of 1-(3,5-Ditert-butylbenzoyl)-4-methylpiperazine is 316.25 g/mol.
Where can I buy 1-(3,5-Ditert-butylbenzoyl)-4-methylpiperazine?
You can request a quote for 1-(3,5-Ditert-butylbenzoyl)-4-methylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,5-Ditert-butylbenzoyl)-4-methylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-Ditert-butylbenzoyl)-4-methylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.