2,6-Dimethylphenyl 2-(4-methylpiperazin-1-yl)propanoate--hydrogen chloride (1/1)
TL;DR: 2,6-Dimethylphenyl 2-(4-methylpiperazin-1-yl)propanoate--hydrogen chloride (1/1) (CAS 1877-23-2) is a chemical compound with molecular formula C16H25ClN2O2 and molecular weight 312.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-dimethylphenyl) 2-(4-methylpiperazin-1-yl)propanoate;hydrochloride
Also Known As: alpha,4-Dimethyl-1-piperazineacetic acid 2,6-xylyl ester hydrochloride, 2,6-dimethylphenyl 2-(4-methylpiperazin-1-yl)propanoate hydrochloride(1:1), 1-Piperazineacetic acid, alpha,4-dimethyl-, 2,6-xylyl ester, monohydrochloride, 2,6-Dimethylphenyl 2-(4-methylpiperazin-1-yl)propanoate--hydrogen chloride (1/1), (2,6-dimethylphenyl) 2-(4-methylpiperazin-1-yl)propanoate hydrochloride
| Molecular Formula | C16H25ClN2O2 |
|---|---|
| Molecular Weight | 312.16 g/mol |
| LogP | 2.27 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.16046 |
| Heavy Atoms | 21 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 1877-23-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OC(=O)C(C)N2CCN(CC2)C.Cl |
| InChIKey | JMJQTSPYVMBZTE-UHFFFAOYSA-N |
Product Overview
2,6-Dimethylphenyl 2-(4-methylpiperazin-1-yl)propanoate--hydrogen chloride (1/1) (CAS 1877-23-2), with molecular formula C16H25ClN2O2 and molecular weight 312.16 g/mol. IUPAC: (2,6-dimethylphenyl) 2-(4-methylpiperazin-1-yl)propanoate;hydrochloride.
Chemical Property Profile of 2,6-Dimethylphenyl 2-(4-methylpiperazin-1-yl)propanoate--hydrogen chloride (1/1)
Property Insights of 2,6-Dimethylphenyl 2-(4-methylpiperazin-1-yl)propanoate--hydrogen chloride (1/1)
The XLogP value of 2.27 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dimethylphenyl 2-(4-methylpiperazin-1-yl)propanoate--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 32.8 Ų, 2,6-Dimethylphenyl 2-(4-methylpiperazin-1-yl)propanoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethylphenyl 2-(4-methylpiperazin-1-yl)propanoate--hydrogen chloride (1/1) has 1 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 2,6-Dimethylphenyl 2-(4-methylpiperazin-1-yl)propanoate--hydrogen chloride (1/1)?
The CAS number of 2,6-Dimethylphenyl 2-(4-methylpiperazin-1-yl)propanoate--hydrogen chloride (1/1) is 1877-23-2.
What is the molecular formula of 2,6-Dimethylphenyl 2-(4-methylpiperazin-1-yl)propanoate--hydrogen chloride (1/1)?
The molecular formula of 2,6-Dimethylphenyl 2-(4-methylpiperazin-1-yl)propanoate--hydrogen chloride (1/1) is C16H25ClN2O2.
What is the molecular weight of 2,6-Dimethylphenyl 2-(4-methylpiperazin-1-yl)propanoate--hydrogen chloride (1/1)?
The molecular weight of 2,6-Dimethylphenyl 2-(4-methylpiperazin-1-yl)propanoate--hydrogen chloride (1/1) is 312.16 g/mol.
Where can I buy 2,6-Dimethylphenyl 2-(4-methylpiperazin-1-yl)propanoate--hydrogen chloride (1/1)?
You can request a quote for 2,6-Dimethylphenyl 2-(4-methylpiperazin-1-yl)propanoate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethylphenyl 2-(4-methylpiperazin-1-yl)propanoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethylphenyl 2-(4-methylpiperazin-1-yl)propanoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.