RefChem:1059642
TL;DR: RefChem:1059642 (CAS 1940-89-2) is a chemical compound with molecular formula C18H30Cl2N2O2 and molecular weight 376.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,6-trimethylphenyl) 2-(4-methylpiperazin-1-yl)butanoate;dihydrochloride
Also Known As: alpha-Ethyl-4-methyl-1-piperazineacetic acid mesityl ester dihydrochloride, 1-Piperazineacetic acid, alpha-ethyl-4-methyl-, mesityl ester, dihydrochloride, 2,4,6-trimethylphenyl 2-(4-methylpiperazin-1-yl)butanoate dihydrochloride, 2,4,6-Trimethylphenyl 2-(4-methylpiperazin-1-yl)butanoate--hydrogen chloride (1/2), (2,4,6-trimethylphenyl) 2-(4-methylpiperazin-1-yl)butanoate dihydrochloride
| Molecular Formula | C18H30Cl2N2O2 |
|---|---|
| Molecular Weight | 376.17 g/mol |
| LogP | 3.39 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.16843 |
| Heavy Atoms | 24 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 1940-89-2 |
|---|---|
| SMILES | CCC(C(=O)OC1=C(C=C(C=C1C)C)C)N2CCN(CC2)C.Cl.Cl |
| InChIKey | JYQUHKQGZVAWHJ-UHFFFAOYSA-N |
Product Overview
RefChem:1059642 (CAS 1940-89-2), with molecular formula C18H30Cl2N2O2 and molecular weight 376.17 g/mol. IUPAC: (2,4,6-trimethylphenyl) 2-(4-methylpiperazin-1-yl)butanoate;dihydrochloride.
Chemical Property Profile of RefChem:1059642
Property Insights of RefChem:1059642
The XLogP value of 3.39 indicates that RefChem:1059642 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, RefChem:1059642 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1059642 has 2 hydrogen bond donor(s) and 4 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:1059642?
The CAS number of RefChem:1059642 is 1940-89-2.
What is the molecular formula of RefChem:1059642?
The molecular formula of RefChem:1059642 is C18H30Cl2N2O2.
What is the molecular weight of RefChem:1059642?
The molecular weight of RefChem:1059642 is 376.17 g/mol.
Where can I buy RefChem:1059642?
You can request a quote for RefChem:1059642 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1059642?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1059642 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.