Pivalic acid, 3-(4-methyl-1-piperazinyl)propyl ester, dihydrochloride
TL;DR: Pivalic acid, 3-(4-methyl-1-piperazinyl)propyl ester, dihydrochloride (CAS 4852-81-7) is a chemical compound with molecular formula C13H28Cl2N2O2 and molecular weight 314.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylpiperazin-1-yl)propyl 2,2-dimethylpropanoate;dihydrochloride
Also Known As: Pivalic acid, 3-(4-methyl-1-piperazinyl)propyl ester, dihydrochloride, 3-(4-methylpiperazin-1-yl)propyl 2,2-dimethylpropanoate dihydrochloride, Propanoic acid, 2,2-dimethyl-, 3-(4-methyl-1-piperazinyl)propyl ester,dihydrochloride, 3-(4-methylpiperazin-1-yl)propyl 2,2-dimethylpropanoate,dihydrochloride, 3-(4-Methylpiperazin-1-yl)propyl 2,2-dimethylpropanoate--hydrogen chloride (1/2)
| Molecular Formula | C13H28Cl2N2O2 |
|---|---|
| Molecular Weight | 314.15 g/mol |
| LogP | 2.0568 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.15277 |
| Heavy Atoms | 19 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 4852-81-7 |
|---|---|
| SMILES | CC(C)(C)C(=O)OCCCN1CCN(CC1)C.Cl.Cl |
| InChIKey | MAFFGJLORPZSOS-UHFFFAOYSA-N |
Product Overview
Pivalic acid, 3-(4-methyl-1-piperazinyl)propyl ester, dihydrochloride (CAS 4852-81-7), with molecular formula C13H28Cl2N2O2 and molecular weight 314.15 g/mol. IUPAC: 3-(4-methylpiperazin-1-yl)propyl 2,2-dimethylpropanoate;dihydrochloride.
Chemical Property Profile of Pivalic acid, 3-(4-methyl-1-piperazinyl)propyl ester, dihydrochloride
Property Insights of Pivalic acid, 3-(4-methyl-1-piperazinyl)propyl ester, dihydrochloride
The XLogP value of 2.0568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pivalic acid, 3-(4-methyl-1-piperazinyl)propyl ester, dihydrochloride. With a topological polar surface area (TPSA) of 32.8 Ų, Pivalic acid, 3-(4-methyl-1-piperazinyl)propyl ester, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pivalic acid, 3-(4-methyl-1-piperazinyl)propyl ester, dihydrochloride 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 Pivalic acid, 3-(4-methyl-1-piperazinyl)propyl ester, dihydrochloride?
The CAS number of Pivalic acid, 3-(4-methyl-1-piperazinyl)propyl ester, dihydrochloride is 4852-81-7.
What is the molecular formula of Pivalic acid, 3-(4-methyl-1-piperazinyl)propyl ester, dihydrochloride?
The molecular formula of Pivalic acid, 3-(4-methyl-1-piperazinyl)propyl ester, dihydrochloride is C13H28Cl2N2O2.
What is the molecular weight of Pivalic acid, 3-(4-methyl-1-piperazinyl)propyl ester, dihydrochloride?
The molecular weight of Pivalic acid, 3-(4-methyl-1-piperazinyl)propyl ester, dihydrochloride is 314.15 g/mol.
Where can I buy Pivalic acid, 3-(4-methyl-1-piperazinyl)propyl ester, dihydrochloride?
You can request a quote for Pivalic acid, 3-(4-methyl-1-piperazinyl)propyl ester, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pivalic acid, 3-(4-methyl-1-piperazinyl)propyl ester, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pivalic acid, 3-(4-methyl-1-piperazinyl)propyl ester, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.