RefChem:1059643
TL;DR: RefChem:1059643 (CAS 2173-48-0) is a chemical compound with molecular formula C17H28Cl2N2O2 and molecular weight 362.15 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)propanoate;dihydrochloride
Also Known As: alpha,4-Dimethyl-1-piperazineacetic acid mesityl ester dihydrochloride, 1-Piperazineacetic acid, alpha,4-dimethyl-, mesityl ester, dihydrochloride, 2,4,6-Trimethylphenyl 2-(4-methylpiperazin-1-yl)propanoate--hydrogen chloride (1/2), (2,4,6-trimethylphenyl) 2-(4-methylpiperazin-1-yl)propanoate dihydrochloride, RefChem:1059643
| Molecular Formula | C17H28Cl2N2O2 |
|---|---|
| Molecular Weight | 362.15 g/mol |
| LogP | 2.99676 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.15277 |
| Heavy Atoms | 23 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 2173-48-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)OC(=O)C(C)N2CCN(CC2)C)C.Cl.Cl |
| InChIKey | ZHQDYSXQHYUNJX-UHFFFAOYSA-N |
Product Overview
RefChem:1059643 (CAS 2173-48-0), with molecular formula C17H28Cl2N2O2 and molecular weight 362.15 g/mol. IUPAC: (2,4,6-trimethylphenyl) 2-(4-methylpiperazin-1-yl)propanoate;dihydrochloride.
Chemical Property Profile of RefChem:1059643
Property Insights of RefChem:1059643
The XLogP value of 2.99676 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1059643. With a topological polar surface area (TPSA) of 32.8 Ų, RefChem:1059643 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1059643 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:1059643?
The CAS number of RefChem:1059643 is 2173-48-0.
What is the molecular formula of RefChem:1059643?
The molecular formula of RefChem:1059643 is C17H28Cl2N2O2.
What is the molecular weight of RefChem:1059643?
The molecular weight of RefChem:1059643 is 362.15 g/mol.
Where can I buy RefChem:1059643?
You can request a quote for RefChem:1059643 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1059643?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1059643 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.